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舒林酸

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
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舒林酸 基本信息

中文名称：
舒林酸 
中文别名：
舒林酸;
硫茚酸;
(2)-5-氟-2-甲基-1-[(亚硫酰苯基)亚甲基]-1H-茚-3-醋酸;
(Z)-5-氟-2-甲基-1-[4-(甲亚硫酰苯基)亚甲基]-1H-茚-3-醋酸 
英文名称：
1H-Indene-3-aceticacid, 5-fluoro-2-methyl-1-[[4-(methylsulfinyl)phenyl]methylene]-, (1Z)-
英文别名：
sulindac;
Sudac;
Imbaral;
(Z)-5-Fluoro-2-methyl-1-[p-(methylsulfinyl)benzylidene]indene-3-acetic acid;
mobilin;
Sulindac;
(Z)-2-(3-(4-(methylsulfinyl)benzylidene)-6-fluoro-2-methyl-3H-inden-1-yl)acetic acid;
MK-231;
Saldac;
AFLODAC;
Aclin;
SULREUMA;
ReuMyl;
(Z)-2-(5-Fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetic acid;
Clinoril,Aflodac,Sulreuma;
SULINOL 
CAS No.：
38194-50-2
分 子 式：

C20H17FO3S

分 子 量：
356.41
精确分子量：
356.08800
PSA：
73.58000
MDL：
MFCD00599589
EINECS：
253-819-2
InChI：
InChI=1/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9+
危险品标志：

HarmfulXn

风险术语：

R22;R63;R42/43;

安全术语：

 

分子结构式：
SDS：
查看

舒林酸 制备方法及用途

制备方法

方法1：4-硝基邻苯二甲酸经氢化还原为4-氨基邻苯二甲酸，经Schiemann反应生成4-氟邻苯二甲酸，酯化为4-氟邻苯二甲酸二乙酯，和丙酸乙酯在钠作用下缩合环合，生成二氢茚，再和有机膦化合物反应，在3位引入乙酸甲酯，接着和对甲亚磺酰基苄基溴进行格氏反应，最后水解得舒林酸 方法4；5-氟-2-甲基-1-氧代-2，3-二氢-1H-茚和对甲硫基苄基氯进行格氏反应，在1位引入对甲硫基苄基，然后在酸性中脱水，在1，2位形成双键，再和乙醛酸反应，在3位引入乙酸基，双氧水氧化，最后酸化使双键移位得到舒林酸。

合成制备方法

方法1：4-硝基邻苯二甲酸经氢化还原为4-氨基邻苯二甲酸，经Schiemann反应生成4-氟邻苯二甲酸，酯化为4-氟邻苯二甲酸二乙酯，和丙酸乙酯在钠作用下缩合环合，生成二氢茚，再和有机膦化合物反应，在3位引入乙酸甲酯，接着和对甲亚磺酰基苄基溴进行格氏反应，最后水解得舒林酸

方法4；5-氟-2-甲基-1-氧代-2，3-二氢-1H-茚和对甲硫基苄基氯进行格氏反应，在1位引入对甲硫基苄基，然后在酸性中脱水，在1，2位形成双键，再和乙醛酸反应，在3位引入乙酸基，双氧水氧化，最后酸化使双键移位得到舒林酸。

 

 

 

 

 

 

 

 

用途简介

用作消炎镇痛药，用于风湿性、类风湿性关节炎、急性痛风等。

用途

1978年美国犉犇犃批准。为前体药物，本身不具有消炎镇痛的活性，而口服吸收转化为代谢的硫化物而产生作用。用于类风湿性关节炎、臂部和膝关节炎、强直性脊椎炎、滑囊炎、急性痛风等。

舒林酸 物化性质

外观与性状：
黄色固体
密度：
1.38 g/cm3
熔点：
182-185°C
沸点：
581.6ºC at 760 mmHg
闪点：
305.6ºC
折射率：
1.672
存储条件/存储方法：

 密封、阴凉、干燥保存

稳定性相关：

常规情况下不会分解，没有危险反映

其它信息：

1.      性状：黄色结晶

2.      密度（g/mL,20ºC）：未确定

3.      相对蒸汽密度（g/mL,空气=1）：未确定

4.      熔点（ºC）：182~185

5.      沸点（ºC,1.1kPa）：未确定

6.      沸点（ºC,22mmhg）：未确定

7.      折射率：未确定

8.      闪点（ºC）：306

9.      比旋光度（º）：未确定

10.   自燃点或引燃温度（ºC）：未确定

11.   蒸气压（kPa,25ºC）：2E-14(25C)

12.   饱和蒸气压（kPa,60ºC）：未确定

13.   燃烧热（KJ/mol）：91.5kJ/mol

14.   临界温度（ºC）：未确定

15.   临界压力（KPa）：未确定

16.   油水（辛醇/水）分配系数的对数值：未确定

17.   爆炸上限（%,V/V）：未确定

18.   爆炸下限（%,V/V）：未确定

19.   溶解性：微溶于乙醇、丙酮、乙酸乙酯或氯仿，难溶于甲醇，不溶于水

 

舒林酸 安全信息

包装等级：
III
风险类别：
6.1(b)
海关代码：
2930909090
危险类别码：
R22
RTECS号：
NK8226000
危险标志：
Xn:Harmful;

舒林酸 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NK8226000
CHEMICAL NAME :
1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methyl ene)-, (Z)-
CAS REGISTRY NUMBER :
38194-50-2
LAST UPDATED :
199612
DATA ITEMS CITED :
15
MOLECULAR FORMULA :
C20-H17-F-O3-S
MOLECULAR WEIGHT :
356.43
WISWESSER LINE NOTATION :
L56 BYJ BU1R DSO&1& C1 D1VQ GF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
43 mg/kg/10D-I
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - other changes Liver - liver function tests impaired Blood - leukopenia
REFERENCE :
JAMAAP JAMA, Journal of the American Medical Association. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1- 1883- Volume(issue)/page/year: 244,269,1980
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
112 mg/kg/2W-I
TOXIC EFFECTS :
Gastrointestinal - nausea or vomiting Liver - hepatitis (hepatocellular necrosis), diffuse Nutritional and Gross Metabolic - body temperature increase
REFERENCE :
JRHUA9 Journal of Rheumatology. (920 Yonge St., Suite 608, Toronto, Ont., Canada) V.1- 1974- Volume(issue)/page/year: 10,512,1983
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
8 mg/kg/10H-I
TOXIC EFFECTS :
Behavioral - anorexia (human) Behavioral - muscle contraction or spasticity Gastrointestinal - hypermotility, diarrhea
REFERENCE :
JCGADC Journal of Clinical Gastroenterology. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) Volume(issue)/page/year: 8,569,1986
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
34 mg/kg/6D-I
TOXIC EFFECTS :
Nutritional and Gross Metabolic - changes in potassium
REFERENCE :
JRHUA9 Journal of Rheumatology. (920 Yonge St., Suite 608, Toronto, Ont., Canada) V.1- 1974- Volume(issue)/page/year: 13,1084,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
264 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 30,1398,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
289 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 13,637,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
336 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 13,637,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
507 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,APP-6,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
305 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 13,637,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
398 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 13,637,1982 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
4 mg/kg
SEX/DURATION :
female 13 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
REFERENCE :
JCGBDF Journal of Craniofacial Genetics and Developmental Biology. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1980- Volume(issue)/page/year: 10,83,1990
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
4 mg/kg
SEX/DURATION :
female 13 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
REFERENCE :
JCGBDF Journal of Craniofacial Genetics and Developmental Biology. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1980- Volume(issue)/page/year: 10,83,1990 *** REVIEWS *** TOXICOLOGY REVIEW DSMJAA Delaware Medical Journal. (Medical Soc. of Delaware, 1925 Lovering Ave., Wilmington, DE 19806) V.32(2)- 1960- Volume(issue)/page/year: 53,193,1981 TOXICOLOGY REVIEW REPTED Reproductive Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1987- Volume(issue)/page/year: 9,7,1995 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5356 No. of Facilities: 81 (estimated) No. of Industries: 2 No. of Occupations: 9 No. of Employees: 4344 (estimated) No. of Female Employees: 1829 (estimated)
毒理学数据：

1、急性毒性：男人经口TDLo：43mg/kg；

            女人经口TDLo：112mg/kg；

大鼠经口LD50：264mg/kg；

大鼠腹腔LD50：289mg/kg；

小鼠经口LD50：507mg/kg；

大鼠皮下LD50：336mg/kg；

小鼠腹腔LD50：389mg/kg；

繁殖数据

小鼠经口TDLo：4mg/kg；

小鼠肌肉TDLo：4mg/kg；

生态数据：

对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。

舒林酸 MSDS

Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : Sulindac    
    CAS-No.        : 38194-50-2    
  Relevant identified uses of the substance or mixture and uses advised against
    Identified uses        : Laboratory chemicals, Manufacture of substances    
  
  
Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
  Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
    Acute toxicity, Oral (Category 3)
    Respiratory sensitization (Category 1)
    Skin sensitization (Category 1)
    Reproductive toxicity (Category 2)
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Harmful if swallowed. Harmful if swallowed. May cause sensitization by inhalation and skin contact.
    Possible risk of harm to the unborn child.
  Label elements
  Labelling according Regulation (EC) No 1272/2008 [CLP]
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    H301        Toxic if swallowed.    
    H317        May cause an allergic skin reaction.    
    H334        May cause allergy or asthma symptoms or breathing difficulties if inhaled.    
    H361        Suspected of damaging fertility or the unborn child.    
    Precautionary statement(s)
    P261        Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.    
    P280        Wear protective gloves.    
    P301 + P310        IF SWALLOWED: Immediately call a POISON CENTER or doctor/    
    physician.
    P342 + P311        If experiencing respiratory symptoms: Call a POISON CENTER or doctor/    
    physician.
    Supplemental Hazard        none    
    Statements
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)
    R-phrase(s)
    R22        Harmful if swallowed.    
    R42/43        May cause sensitization by inhalation and skin contact.    
    R63        Possible risk of harm to the unborn child.    
    S-phrase(s)        none    
  Other hazards - none
Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Synonyms        : (Z)-5-Fluoro-2-methyl-1-[p-(methylsulfinyl)benzylidene]indene-3-acetic    
    acid
    Formula        : C20H17FO3S    
    Molecular Weight        : 356,41 g/mol    
    Component        Concentration    
  Sulindac
    CAS-No.        38194-50-2        -    
    EC-No.        253-819-2    
Section 4. FIRST AID MEASURES
  Description of first aid measures
  General advice
    Consult a physician. Show this safety data sheet to the doctor in attendance.
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
  In case of skin contact
    Wash off with soap and plenty of water. Take victim immediately to hospital. Consult a physician.
  In case of eye contact
    Flush eyes with water as a precaution.
  If swallowed
    Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
  Most important symptoms and effects, both acute and delayed
  Indication of any immediate medical attention and special treatment needed
    no data available
Section 5. FIREFIGHTING MEASURES
  Extinguishing media
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special hazards arising from the substance or mixture
    Carbon oxides, Sulphur oxides, Hydrogen fluoride
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    no data available
Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions, protective equipment and emergency procedures
    Wear respiratory protection. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate
    ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
  Environmental precautions
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
    containers for disposal.
  Reference to other sections
    For disposal see section 13.
Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
    Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
    protection.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
  Specific end uses
    no data available
Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
    the product.
  Personal protective equipment
  Eye/face protection
    Face shield and safety glasses Use equipment for eye protection tested and approved under
    appropriate government standards such as NIOSH (US) or EN 166(EU).
  Skin protection
    Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
    (without touching glove's outer surface) to avoid skin contact with this product. Dispose of
    contaminated gloves after use in accordance with applicable laws and good laboratory practices.
    Wash and dry hands.
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
    the standard EN 374 derived from it.
  Body Protection
    Complete suit protecting against chemicals, The type of protective equipment must be selected
    according to the concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
    respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering
    controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use
    respirators and components tested and approved under appropriate government standards such
    as NIOSH (US) or CEN (EU).
Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Information on basic physical and chemical properties
    a) Appearance        Form: solid    
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        no data available    
    point
    f) Initial boiling point and no data available
    boiling range
    g) Flash point        no data available    
    h) Evaporation rate        no data available    
    i) Flammability (solid, gas) no data available
    j) Upper/lower        no data available    
    flammability or
    explosive limits
    k) Vapour pressure        no data available    
    l) Vapour density        no data available    
    m) Relative density        no data available    
    n) Water solubility        insoluble    
    o) Partition coefficient: n- no data available
    octanol/water
    p) Autoignition        no data available    
    temperature
    q) Decomposition        no data available    
    temperature
    r) Viscosity        no data available    
    s) Explosive properties        no data available    
    t) Oxidizing properties        no data available    
  Other safety information
    no data available
Section 10. STABILITY AND REACTIVITY
  Reactivity
    no data available
  Chemical stability
    no data available
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    no data available
  Incompatible materials
    Strong oxidizing agents
  Hazardous decomposition products
    Other decomposition products - no data available
Section 11. TOXICOLOGICAL INFORMATION
  Information on toxicological effects
  Acute toxicity
    LD50 Oral - rat - 264 mg/kg
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitization
    no data available
    May cause allergic respiratory and skin reactions
  Germ cell mutagenicity
    no data available
  Carcinogenicity
    IARC:        No component of this product present at levels greater than or equal to 0.1% is identified as    
    probable, possible or confirmed human carcinogen by IARC.
  Reproductive toxicity
    Possible risk of congenital malformation in the fetus.
    Suspected human reproductive toxicant
    Developmental Toxicity - mouse - Oral
    Specific Developmental Abnormalities: Craniofacial (including nose and tongue).
    Developmental Toxicity - mouse - Intramuscular
    Specific Developmental Abnormalities: Craniofacial (including nose and tongue).
  Specific target organ toxicity - single exposure
    no data available
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Potential health effects
  Inhalation        May be harmful if inhaled. May cause respiratory tract irritation.    
  Ingestion        Toxic if swallowed.    
  Skin        May be harmful if absorbed through skin. May cause skin irritation.    
  Eyes        May cause eye irritation.    
  Additional Information
    RTECS: NK8226000
Section 12. ECOLOGICAL INFORMATION
  Toxicity
    no data available
  Persistence and degradability
    no data available
  Bioaccumulative potential
    no data available
  Mobility in soil
    no data available
  Results of PBT and vPvB assessment
    no data available
  Other adverse effects
    no data available
Section 13. DISPOSAL CONSIDERATIONS
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
    professional waste disposal service to dispose of this material. Dissolve or mix the material with a
    combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
  Contaminated packaging
    Dispose of as unused product.
Section 14. TRANSPORT INFORMATION
  UN number
    ADR/RID: 2811        IMDG: 2811        IATA: 2811    
  UN proper shipping name
    ADR/RID: TOXIC SOLID, ORGANIC, N.O.S. (Sulindac)
    IMDG: TOXIC SOLID, ORGANIC, N.O.S. (Sulindac)
    IATA:        Toxic solid, organic, n.o.s. (Sulindac)    
  Transport hazard class(es)
    ADR/RID: 6.1        IMDG: 6.1        IATA: 6.1    
  Packaging group
    ADR/RID: III        IMDG: III        IATA: III    
  Environmental hazards
    ADR/RID: no        IMDG Marine pollutant: no        IATA: no    
  Special precautions for user
    no data available
Section 15. REGULATORY INFORMATION
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
  Safety, health and environmental regulations/legislation specific for the substance or mixture
    no data available
  Chemical Safety Assessment
    no data available
Section 16. OTHER INFORMATION
  Further information
    Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
    only.
    The above information is believed to be correct but does not purport to be all inclusive and shall be
    used only as a guide. The information in this document is based on the present state of our knowledge
    and is applicable to the product with regard to appropriate safety precautions. It does not represent any
    guarantee of the properties of the product. Corporation and its Affiliates shall not be held
    liable for any damage resulting from handling or from contact with the above product. See
     and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

舒林酸 海关数据

中国海关编码：2930909090

概述：
2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素：
品名, 成分含量, 用途
摘要/Summary：
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

舒林酸 分子结构与计算化学数据

计算化学数据

1、  疏水参数计算参考值（XlogP）：3.4

2、  氢键供体数量：1

3、  氢键受体数量：4

4、  可旋转化学键数量：4

5、  拓扑分子极性表面积（TPSA）：54.4

6、  重原子数量：25

7、  表面电荷：0

8、  复杂度：616

9、  同位素原子数量：0

10、  确定原子立构中心数量：0

11、  不确定原子立构中心数量：1

12、  确定化学键立构中心数量：0

13、  不确定化学键立构中心数量：0

14、  共价键单元数量：1

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N,N'-二环己基脲 EXISULIND

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