3-氯甲基-3-甲基氧杂环丁烷

  • 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
  • 下游产品

3-氯甲基-3-甲基氧杂环丁烷 基本信息

中文名称:
3-氯甲基-3-甲基氧杂环丁烷 
中文别名:
3-(氯甲基)-3-甲基氧杂环丁烷;
3-氯甲基-3-甲基氧杂环丁烷 
英文名称:
3-(Chloromethyl)-3-methyloxetane
英文别名:
2-(ChloroMethyl)-2-Methyl-1,3-Epoxypropane;
3-(Chloromethyl)-3-methyloxetane 
CAS No.:
822-48-0
分 子 式:
C5H9ClO
分 子 量:
120.58
精确分子量:
120.03400
PSA:
9.23000
MDL:
MFCD01709552
InChI:
The Key: MCZYEFODKAZWIH-UHFFFAOYSA-N
分子结构式:
SDS:
查看

3-氯甲基-3-甲基氧杂环丁烷 物化性质

密度:
1.1
沸点:
88ºC / 97.5mmHg
闪点:
42.9ºC
折射率:
1.437
其它信息:

1.       性状:未确定

2.       密度(g/mL,25/4):1.10

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):未确定

5.       沸点(ºC,常压):未确定

6.       沸点(ºC, 97.5mmHg):88 °C

7.       折射率:1.437

8.       闪点(ºC):42.9

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(mmHg,2ºC):7.82

12.    饱和蒸气压(kPa,60ºC):未确定

13.    燃烧热(KJ/mol):未确定

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:未确定

3-氯甲基-3-甲基氧杂环丁烷 安全信息

海关代码:
2932999099

3-氯甲基-3-甲基氧杂环丁烷 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RQ6828000
CHEMICAL NAME :
Oxetane, 3-(chloromethyl)-3-methyl-
CAS REGISTRY NUMBER :
822-48-0
BEILSTEIN REFERENCE NO. :
1236376
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C5-H9-Cl-O
MOLECULAR WEIGHT :
120.59
WISWESSER LINE NOTATION :
T4OTJ C1 C1G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1120 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - excitement Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
FATOBP Farmakologiya i Toksikologiya (Kiev). Pharmacology and Toxicology. (Kievskii Nauchno- Issledovatel'skii Institut Farmakologii i Toksikologii, Kiev, USSR) No.1- 1964- Volume(issue)/page/year: 5,157,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
700 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - excitement Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
FATOBP Farmakologiya i Toksikologiya (Kiev). Pharmacology and Toxicology. (Kievskii Nauchno- Issledovatel'skii Institut Farmakologii i Toksikologii, Kiev, USSR) No.1- 1964- Volume(issue)/page/year: 5,157,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
520 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 48,67,1985
毒理学数据:

急性毒性:小鼠口经LD50700/kg;大鼠口经LD501120mg/kg

3-氯甲基-3-甲基氧杂环丁烷 MSDS

  3-(Chloromethyl)-3-methyloxetane      Revision number: 5    
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        3-(Chloromethyl)-3-methyloxetane    
    
  Revision number:        5    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS
    Category 3
  Flammable liquids
  HEALTH HAZARDS
    Category 4
  Acute toxicity (Oral)
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Warning    
  Hazard statements        Flammable liquid and vapour    
    Harmful if swallowed
  Precautionary statements:
    Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
  [Prevention]
    Keep container tightly closed.
    Use explosion-proof electrical/ventilating/lighting equipment. Take precautionary
    measures against ignition by the static discharge and the spark.
    Do not eat, drink or smoke when using this product.
    Wash hands thoroughly after handling.
    Wear protective gloves/eye protection/face protection.
  [Response]        IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell.    
    Rinse mouth.
    IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
    skin with water/shower.
  [Storage]        Store in a well-ventilated place. Keep cool.    
  [Disposal]        Dispose of contents/container through a waste management company authorized by    
    the local government.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        3-(Chloromethyl)-3-methyloxetane    
  Percent:        >98.0%(GC)    
    822-48-0
  CAS Number:
  Synonyms:        2-(Chloromethyl)-2-methyl-1,3-epoxypropane    
  3-(Chloromethyl)-3-methyloxetane

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Chemical Formula:        C5H9ClO    

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Get medical advice/attention if you feel unwell.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Rinse skin with    
    water/shower. If skin irritation or rash occurs: Get medical advice/attention.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
    Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth.
  Ingestion:
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-    
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
    Dry chemical, foam, water spray, carbon dioxide.
  Suitable extinguishing
  media:
  Unsuitable extinguishing Solid streams of water
  media:
  Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
  from the chemical:        generate poisonous fume.    
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Keep containers cool by
    spraying with water. Eliminate all ignition sources if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use personal protective equipment. Keep people away from and upwind of spill/leak.    
  protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
  emergency procedures: around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Absorb spilled material in dry sand or inert absorbent before recovering it into an
  containment and cleaning airtight container. In case of large amount of spillage, contain a spill by bunding.
  up: Adhered or collected material should be promptly disposed of, in accordance with
    appropriate laws and regulations.
  Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in
    case of a fire. Use spark-proof tools and explosion-proof equipment.
  hazards:

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent generation of vapour or mist. Keep away from heat/sparks/open flame/hot
    surfaces. -No smoking. Take measures to prevent the build up of electrostatic
    charge. Use explosion-proof equipment. Wash hands and face thoroughly after
    handling.
    Use a closed system if possible. Use a ventilation, local exhaust if vapour or aerosol
    will be generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a cool, dark and well-ventilated place.    
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Comply with laws.    
  3-(Chloromethyl)-3-methyloxetane

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust. Also install safety shower and eye bath.    
  Personal protective equipment
  Respiratory protection: Vapor respirator. Follow local and national regulations.
    Protective gloves.
  Hand protection:
  Eye protection:        Safety glasses. A face-shield, if the situation requires.    
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Liquid    
  Form:        Clear    
    Colorless - Almost colorless
  Colour:
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:No data available
    88°C/13kPa
  Boiling point/range:
  Flash point:        No data available    
  Flammability or explosive
  limits:
  Lower:        No data available    
  Upper:        No data available    
  Relative density:        1.10    
  Solubility(ies):
    No data available
  [Water]
  [Other solvents]        No data available    

Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.    
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Conditions to avoid:        Spark, Open flame, Static discharge    
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Hydrogen chloride
  products:

Section 11. TOXICOLOGICAL INFORMATION
    orl-rat LD50:1120 mg/kg
  Acute Toxicity:
    orl-mus LD50:700 mg/kg
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available    
    No data available
  NTP =
  Reproductive toxicity:        No data available    
  RTECS Number:        RQ6828000    

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  potential(BCF):
  Mobility in soil
  3-(Chloromethyl)-3-methyloxetane

Section 12. ECOLOGICAL INFORMATION
  Log Pow:        No data available    
  Soil adsorption (Koc): No data available
  Henry's Law        No data available    
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
    incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
    disposing of the substance.

Section 14. TRANSPORT INFORMATION
  Hazards Class:        3: Flammable liquid.    
  UN-No:        1993    
  Proper shipping name:        Flammable liquid, n.o.s.    
  Packing group:        III    

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.


SECTION 16 - ADDITIONAL INFORMATION
N/A

3-氯甲基-3-甲基氧杂环丁烷 海关数据

中国海关编码:2932999099

概述:
2932999099. 其他仅含氧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
摘要/Summary:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-氯甲基-3-甲基氧杂环丁烷 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:29.59

2、   摩尔体积m3/mol112.8

3、   等张比容90.2K271.2

4、   表面张力dyne/cm33.34

5、   介电常数:

6、   偶极距10-24cm3

7、   极化率:11.73

计算化学数据

1.疏水参数计算参考值(XlogP):1.1

2.氢键供体数量:0

3.氢键受体数量:1

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积9.2

7.重原子数量:7

8.表面电荷:0

9.复杂度:68.5

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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