1,1,2-三甲基-3-(4-硫代丁基)苯并[e]吲哚,内盐

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品

1,1,2-三甲基-3-(4-硫代丁基)苯并[e]吲哚,内盐 基本信息

中文名称:
1,1,2-三甲基-3-(4-硫代丁基)苯并[e]吲哚,内盐 
中文别名:
1,1,2-三甲基-3-(4-硫代丁基)苯并[e]吲哚鎓内盐;
1,1,2-三甲基-3-(4-硫代丁基)苯并[e]吲哚,内盐;
1,1,2-三甲基-3-(4-磺酸丁基)-1H-苯并[e]吲哚鎓氢氧化物 
英文名称:
1H-Benz[e]indolium,1,1,2-trimethyl-3-(4-sulfobutyl)-, inner salt
英文别名:
1,1,2-TRIMETHYL-3-(4-SULFOBUTYL)-1H-BENZ[E]INDOLIUM HYDROXIDE, INNER SALT;
1,1,2-trimethyl-3-(4-sulphonatobutyl)-1H-benz[e]indolium;
1,1,2-TRIMETHYL-3-(4-SULFOBUTYL)-1H-BENZO[E]INDOLIUM BETHAINE;
4-(1,1,2-trimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate;
4-(1,1,2-trimethyl-1H-benzo[e]indolium-3-yl)butane-1-sulfonate;
1-(4-Sulfobutyl)-2,3,3-trimethyl-4,5-benzoindolenine;
1,1,2-trimethyl-3-(4-sulfobutyl)-1H-Benzeindoliuminnersalt;
1,1,2-TRIMETHYL-3-(4-SULFOBUTYL)BENZ[E]INDOLIUM,INNER SALT;
3-(4-sulfobutyl)-1,1,2-trimethyl-1H-benz[e]indole;
2,3,3-trimethyl-1-(4-sulfobutyl)-4,5-benzoindolium;
2,3,3-trimethyl-1-(4-sulfobutyl)benz[e]indolinium;
4-(1,1,2-trimethyl-1H-benz[e]indolium)butylsulfonate;
1-(4-SULFOBUTYL)-2,3,3-TRIMETHYL-4,5-BENZINDOLIUM,INNER SALT;
2,3,3-trimethyl-1-(sulfobutyl)-4,5-benzoindolium inner salt;
1-(4-SULFOBUTYL)-2,3,3-TRIMETHYLBENZ[E]INDOLIUM BETAINE;
1,1,2-Trimethyl-3-(4-sulfonatobutyl)-1H-benz[e]indol-3-ium 
CAS No.:
63149-24-6
分 子 式:
C19H23NO3S
分 子 量:
345.46
精确分子量:
345.14000
PSA:
68.59000
MDL:
MFCD02690163
EINECS:
263-961-7
InChI:
The Key: GJCURKVOCXJAIV-UHFFFAOYSA-N
分子结构式:
SDS:
查看

1,1,2-三甲基-3-(4-硫代丁基)苯并[e]吲哚,内盐 物化性质

外观与性状:
淡蓝色-灰色结晶粉末
熔点:
274-278ºC
存储条件/存储方法:

 

保持贮藏器密封

放入紧密的贮藏器内,储存在阴凉,干燥的地方

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:固体

2.       密度(g/mL,25/4):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):274-278

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

1,1,2-三甲基-3-(4-硫代丁基)苯并[e]吲哚,内盐 安全信息

海关代码:
2933990090

1,1,2-三甲基-3-(4-硫代丁基)苯并[e]吲哚,内盐 毒理性

生态数据:

 

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

1,1,2-三甲基-3-(4-硫代丁基)苯并[e]吲哚,内盐 MSDS


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : 1,1,2-Trimethyl-3-(4-sulfobutyl)benz[e]indolium,    
    inner salt
    CAS-No.        : 63149-24-6    
  

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
    Not a hazardous substance or mixture according to Regulation (EC) No 1272/2008
    Not a hazardous substance or mixture according to EC-directives 67/548/EEC or 1999/45/EC.
  Label elements
    The product does not need to be labelled in accordance with EC directives or respective national laws.
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Synonyms        : 1-(4-Sulfobutyl)-2,3,3-trimethyl-4,5-benzindolium,inner salt    
    1,1,2-Trimethyl-3-(4-sulfobutyl)-1H-benz[e]indolium hydroxide,inner salt
    Formula        : C19H23NO3S    
    Molecular Weight        : 345,46 g/mol    

Section 4. FIRST AID MEASURES
  Description of first aid measures
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration.
  In case of skin contact
    Wash off with soap and plenty of water.
  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.
  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, nitrogen oxides (NOx), Sulphur oxides
  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
    Avoid dust formation. Avoid breathing vapors, mist or gas.
  Environmental precautions
    Do not let product enter drains.
  Methods and materials for containment and cleaning up
    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
    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
    General industrial hygiene practice.
  Personal protective equipment
  Eye/face protection
    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
    Choose body protection in relation to its type, to the concentration and amount of dangerous
    substances, and to the specific work-place., The type of protective equipment must be selected
    according to the concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
    use type N95 (US) or type P1 (EN 143) dust masks. 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        Melting point/range: 245 - 258 °C    
    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        no data available    
    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
    no data available
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitization
    no data available
  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
    no data available
  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        May be harmful if swallowed.    
  Skin        May be harmful if absorbed through skin. May cause skin irritation.    
  Eyes        May cause eye irritation.    
  Additional Information
    RTECS: Not available

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.
  Contaminated packaging
    Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
  UN number
    ADR/RID: -        IMDG: -        IATA: -    
  UN proper shipping name
    ADR/RID: Not dangerous goods
    IMDG: Not dangerous goods
    IATA:        Not dangerous goods    
  Transport hazard class(es)
    ADR/RID: -        IMDG: -        IATA: -    
  Packaging group
    ADR/RID: -        IMDG: -        IATA: -    
  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
    and is applicable to the product with regard to appropriate safety precautions. It does not represent any


SECTION 16 - ADDITIONAL INFORMATION
N/A

1,1,2-三甲基-3-(4-硫代丁基)苯并[e]吲哚,内盐 海关数据

中国海关编码:2933990090

概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 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:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1,1,2-三甲基-3-(4-硫代丁基)苯并[e]吲哚,内盐 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):2.9

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积68.6

7.重原子数量:24

8.表面电荷:0

9.复杂度:589

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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