3-(三氟甲基)氯甲酸苯酯

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 结构与计算化学
  • 上游产品

3-(三氟甲基)氯甲酸苯酯 基本信息

中文名称:
3-(三氟甲基)氯甲酸苯酯 
中文别名:
3-(三氟甲基)氯甲酸苯酯 
英文名称:
Carbonochloridic acid,3-(trifluoromethyl)phenyl ester
英文别名:
[3-(trifluoromethyl)phenyl] carbonochloridate;
3-(trifluoromethyl)phenyl carbonochloridate;
3-trifluoromethylphenyl chlorocarbonate;
m-trifluorophenyl chloroformate;
m-(trifluoromethyl)phenyl chloroformate;
3-trifluoromethyl phenyl chloroformate 
CAS No.:
95668-29-4
分 子 式:
C8H4ClF3O2
分 子 量:
224.56
精确分子量:
223.98500
PSA:
26.30000
MDL:
MFCD02093719
风险术语:
R34R23/24/25
安全术语:
S23S26S45S36/S37/S39
分子结构式:
SDS:
查看

3-(三氟甲基)氯甲酸苯酯 物化性质

密度:
1.444g/cm3
沸点:
201ºC at 760 mmHg
闪点:
185 °F
折射率:
1.462
存储条件/存储方法:

2-8

稳定性相关:

稳定

避免接触强氧化剂
其它信息:

1.      性状:液体

2.      密度(g/mL 25ºC):1.42

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC常压):未确定

5.      沸点(ºC):194

6.      沸点(ºC,5.2kPa):未确定

7.      折射率(n20/D):未确定

8.      闪点(ºC):85

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):未确定

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(25℃):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(mg/mL) 未确定

3-(三氟甲基)氯甲酸苯酯 安全信息

危险类别码:
23/24/25-34
安全说明:
23-26-36/37/39-45
安全标志:
S23:不要吸入蒸汽。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
T: Toxic;

3-(三氟甲基)氯甲酸苯酯 MSDS


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
    Product name        : 3-(Trifluoromethyl)phenyl chloroformate    

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
    According to Regulation (EC) No1272/2008
    Acute toxicity, Inhalation (Category 3)
    Acute toxicity, Dermal (Category 3)
    Acute toxicity, Oral (Category 3)
    Skin corrosion (Category 1B)
    According to European Directive 67/548/EEC as amended.
    Toxic by inhalation, in contact with skin and if swallowed. Causes burns.
  Label elements
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    Toxic if swallowed.
    Toxic in contact with skin.
    Causes severe skin burns and eye damage.
    Toxic if inhaled.
    Precautionary statement(s)
    Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
    Wear protective gloves/ protective clothing/ eye protection/ face protection.
    P305 + P351 + P338        IF IN EYES: Rinse cautiously with water for several minutes. Remove    
    contact lenses, if present and easy to do. Continue rinsing.
    Immediately call a POISON CENTER or doctor/ physician.
    Hazard symbol(s)
    T        Toxic    
    R-phrase(s)
    R23/24/25        Toxic by inhalation, in contact with skin and if swallowed.    
    R34        Causes burns.    
    S-phrase(s)
    S23        Do not breathe vapour.    
    S26        In case of contact with eyes, rinse immediately with plenty of water and    
    seek medical advice.
    S36/37/39        Wear suitable protective clothing, gloves and eye/face protection.    
    S45        In case of accident or if you feel unwell, seek medical advice immediately    
    (show the label where possible).
  Other hazards
    Lachrymator.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
    Formula        : C8H4ClF3O2    
    Molecular Weight        : 224,56 g/mol    
    CAS-No.        EC-No.        Index-No.        Classification        Concentration    
  3-(Trifluoromethyl)phenyl chloroformate
    95668-29-4        -        -        Acute Tox. 3; Skin Corr. 1B;        -    
    H301, H311, H314, H331
    T, R23/24/25 - R34
    For the full text of the H-Statements mentioned in this Section, see Section 16.

Section 4. 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
    Take off contaminated clothing and shoes immediately. Wash off with soap and plenty of water. Take victim
    immediately to hospital. Consult a physician.
  In case of eye contact
    Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
  If swallowed
    Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with water.
    Consult a physician.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing media
    For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large fires,
    apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or spray;
    solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water.
  Special protective equipment for fire-fighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    Use water spray to cool unopened containers.

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions
    Wear respiratory protection. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all
    sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to form explosive
    concentrations. Vapours can accumulate in low areas.
  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
    Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place
    in container for disposal according to local regulations (see section 13). Keep in suitable, closed containers
    for disposal.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
    Keep away from sources of ignition - No smoking. Take measures to prevent the build up of electrostatic
    charge.
  Conditions for safe storage
    Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully
    resealed and kept upright to prevent leakage.
    Recommended storage temperature: 2 - 8 °C

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
  Personal protective equipment
  Respiratory protection
    Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with
    multi-purpose combination (US) or type ABEK (EN 14387) 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).
  Hand 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.
  Eye protection
    Tightly fitting safety goggles. Faceshield (8-inch minimum). Use equipment for eye protection tested and
    approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
  Skin and 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.
  Hygiene measures
    Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling the
    product.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Appearance
    Form        liquid    
    Colour        colourless    
  Safety data
    pH no data available
    Melting point        no data available    
    Boiling point        194 °C at 1.013 hPa    
    Flash point        85 °C - closed cup    
    Ignition temperature        no data available    
    Lower explosion limit        no data available    
    Upper explosion limit        no data available    
    Density        1,420 g/cm3    
    Water solubility        no data available    

Section 10. STABILITY AND REACTIVITY
  Chemical stability
    Stable under recommended storage conditions.
  Conditions to avoid
    Heat, flames and sparks.
  Materials to avoid
    Strong oxidizing agents
  Hazardous decomposition products
    Hazardous decomposition products formed under fire conditions. - Carbon oxides, Hydrogen chloride gas,
    Hydrogen fluoride

Section 11. TOXICOLOGICAL INFORMATION
  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
    Toxic if inhaled. Material is extremely destructive to the tissue of the mucous
    membranes and upper respiratory tract.
  Ingestion
    Toxic if swallowed. Causes burns.
  Skin        Toxic if absorbed through skin. Causes skin burns.    
  Eyes        Causes eye burns.    
  Signs and Symptoms of Exposure
    Material is extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and
    skin., spasm, inflammation and edema of the larynx, spasm, inflammation and edema of the bronchi,
    pneumonitis, pulmonary edema, burning sensation, Cough, wheezing, laryngitis, Shortness of breath,
    Headache, Nausea
  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
  PBT and vPvB assessment
    no data available
  Other adverse effects
    no data available

Section 13. DISPOSAL CONSIDERATIONS
  Product
    This combustible material may be burned in a chemical incinerator equipped with an afterburner and
    scrubber. Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
    professional waste disposal service to dispose of this material.
  Contaminated packaging
    Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
  ADR/RID
    UN-Number: 3277 Class: 6.1 (8)        Packing group: II    
    Proper shipping name: CHLOROFORMATES, TOXIC, CORROSIVE, N.O.S. (3-(Trifluoromethyl)phenyl
    chloroformate)
  IMDG
    UN-Number: 3277 Class: 6.1 (8)        Packing group: II        EMS-No: F-A, S-B    
    Proper shipping name: CHLOROFORMATES, TOXIC, CORROSIVE, N.O.S. (3-(Trifluoromethyl)phenyl
    chloroformate)
    Marine pollutant: No
  IATA
    UN-Number: 3277 Class: 6.1 (8)        Packing group: II    
    Proper shipping name: Chloroformates, toxic, corrosive, n.o.s. (3-(Trifluoromethyl)phenyl chloroformate)

Section 15. REGULATORY INFORMATION
    Causes severe skin burns and eye damage.
    Toxic if inhaled.
    Skin Corr.        Skin corrosion    
    T        Toxic    
    R23/24/25        Toxic by inhalation, in contact with skin and if swallowed.    
    R34        Causes burns.    
  Further information
    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
    handling or from contact with the above product. See reverse side of invoice or packing slip for additional
    terms and conditions of sale.


SECTION 16 - ADDITIONAL INFORMATION
N/A

3-(三氟甲基)氯甲酸苯酯 分子结构与计算化学数据

分子结构数据

五、分子性质数据:

1、   摩尔折射率:42.79

2、   摩尔体积m3/mol155.4

3、   等张比容90.2K364.6

4、   表面张力dyne/cm):30.2

5、   介电常数:无可用的

6、   偶极距10-24cm3:无可用的

7、   极化率:16.96

计算化学数据

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:5

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积26.3

7.重原子数量:14

8.表面电荷:0

9.复杂度:217

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

3-(三氟甲基)氯甲酸苯酯 上游产品

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产品介绍:
产品名称:3-(三氟甲基)氯甲酸苯酯 Cas号:95668-29-4 纯度:99% 包装信息:100kg 价格:洽谈
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