2-乙炔-α,α,α-三氟甲苯

  • 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

2-乙炔-α,α,α-三氟甲苯 基本信息

中文名称:
2-乙炔-α,α,α-三氟甲苯 
中文别名:
2-乙炔基-α,α,α-三氟甲苯;
2-乙炔基三氟甲苯;
2-乙炔基-ALPHA ALPHA ALPHA-三氟甲苯;
2-(三氟甲基)苯基乙稀 
英文名称:
2-Ethynyl-α,α,α-trifluorotoluene
英文别名:
1-Ethynyl-2-(trifluoromethyl)benzene;
1-ethynyl-2-(trifluoromethyl)benzene 
CAS No.:
704-41-6
分 子 式:
C9H5F3
分 子 量:
170.13
精确分子量:
170.03400
PSA:
0.00000
MDL:
MFCD00467313
InChI:
The Key: OOZKONVIIMFOKW-UHFFFAOYSA-N
风险术语:
R10
安全术语:
S26-36/37/39
分子结构式:
SDS:
查看

2-乙炔-α,α,α-三氟甲苯 物化性质

密度:
1.222 g/mL at 25 °C(lit.)
沸点:
45 °C8 mm Hg(lit.)
闪点:
78 °F
折射率:
n20/D 1.4760(lit.)
存储条件/存储方法:

常温,避光,通风干燥处

稳定性相关:

常温常压下稳定

其它信息:

1.       性状:未确定

2.       密度(g/mL,15):1.222

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):45

6.       折射率1.476

7.       闪点(ºC):25

8.       自燃点或引燃温度(ºC):未确定

9.       蒸气压(kPa,25ºC):未确定

10.    饱和蒸气压(kPa,60ºC):未确定

11.    燃烧热(KJ/mol):未确定

12.    临界温度(ºC):未确定

13.    临界压力(KPa):未确定

14.    油水(辛醇/水)分配系数的对数值:未确定

15.    爆炸上限(%,V/V):未确定

16.    爆炸下限(%,V/V):未确定

17.    溶解性:未确定

2-乙炔-α,α,α-三氟甲苯 安全信息

海关代码:
2903999090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
10
安全说明:
S26-S36/37/39
危险标志:
Xi

2-乙炔-α,α,α-三氟甲苯 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

2-乙炔-α,α,α-三氟甲苯 MSDS


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
    : 2-Ethynyl-α,α,α-trifluorotoluene
    Product name

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
    According to Regulation (EC) No1272/2008
    Flammable liquids (Category 3)
    According to European Directive 67/548/EEC as amended.
    Flammable.
  Label elements
    Pictogram
    Signal word        Warning    
    Hazard statement(s)
    H226        Flammable liquid and vapour.    
    Precautionary statement(s)        none    
    Hazard symbol(s)        none    
    R-phrase(s)
    R10        Flammable.    
    S-phrase(s)        none    
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
    Synonyms        : 1-Ethynyl-2-trifluoromethylbenzene    
    Formula        : C9H5F3    
    Molecular Weight        : 170,13 g/mol    
    CAS-No.        EC-No.        Index-No.        Classification        Concentration    
  2-Ethynyl-α ,α ,α-trifluorotoluene
    704-41-6        -        -        Flam. Liq. 3; H226        -    
    R10
    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
    Wash off with soap and plenty of water. Consult a physician.
  In case of eye contact
    Flush eyes with water as a precaution.
  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
    Avoid breathing vapors, mist or gas. Remove all sources of ignition. 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).

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    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. Store in cool place.

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
    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 and body protection
    impervious clothing, Flame retardant antistatic protective clothing, The type of protective equipment must
    be selected according to the concentration and amount of the dangerous substance at the specific
    workplace.
  Hygiene measures
    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at
    the end of workday.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Appearance
    Form        liquid    
    Colour        colourless    
  Safety data
    pH no data available
    Melting point        no data available    
    Boiling point        45 °C at 11 hPa - lit.    
    Flash point        25 °C - closed cup    
    Ignition temperature no data available
    Lower explosion limit no data available
    Upper explosion limit no data available
    Density        1,222 g/cm3 at 25 °C    
    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 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        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
  PBT and vPvB assessment
    no data available
  Other adverse effects
    no data available

Section 13. DISPOSAL CONSIDERATIONS
  Product
    Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting as
    this material is highly flammable. 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: 1993 Class: 3        Packing group: III    
    Proper shipping name: FLAMMABLE LIQUID, N.O.S. (2-Ethynyl-α ,α ,α-trifluorotoluene)
  IMDG
    UN-Number: 1993 Class: 3        Packing group: III        EMS-No: F-E, S-E    
    Proper shipping name: FLAMMABLE LIQUID, N.O.S. (2-Ethynyl-α ,α ,α-trifluorotoluene)
    Marine pollutant: No
  IATA
    UN-Number: 1993 Class: 3        Packing group: III    
    Proper shipping name: Flammable liquid, n.o.s. (2-Ethynyl-α ,α ,α-trifluorotoluene)

Section 15. REGULATORY INFORMATION
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.

Section 16. OTHER INFORMATION
  Text of H-code(s) and R-phrase(s) mentioned in Section 3
    Flam. Liq.        Flammable liquids    
    H226        Flammable liquid and vapour.    
    R10        Flammable.    
  Further information
    Copyright 2010 Co. 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. Co., shall not be held liable for any damage resulting from
    handling or from contact with the above product. See reverse side of invoice or packing slip for additional
    terms and conditions of sale.

2-乙炔-α,α,α-三氟甲苯 海关数据

中国海关编码:2903999090

概述:
2903999090 其他芳烃卤化衍生物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

2-乙炔-α,α,α-三氟甲苯 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):3.1

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:1

5.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:12

8.表面电荷:0

9.复杂度:196

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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