1-乙炔基-3,5-二氟苯

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

1-乙炔基-3,5-二氟苯 基本信息

中文名称:
1-乙炔基-3,5-二氟苯 
中文别名:
1-乙炔基-3,5-二氟苯;
1-乙炔-3,5-二氟苯 
英文名称:
Benzene,1-ethynyl-3,5-difluoro-
英文别名:
1-ethynyl-3,5-difluorobenzene;
1-ethynyl-3,5-difluoro-benzene;
3,5-Difluorophenylacetylene;
Benzene,1-ethynyl-3,5-difluoro;
3,5-difluorophenylethyne;
HCC(3,5-F2C6H3);
1-ETHYNYL-3,5-DIFLUOROBENZENE 
CAS No.:
151361-87-4
分 子 式:
C8H4F2
分 子 量:
138.11
精确分子量:
138.02800
PSA:
0.00000
MDL:
MFCD04039982
InChI:
The Key: OTDGZDMGSFBZLI-UHFFFAOYSA-N
风险术语:
R10R36/37/38
安全术语:
S16S26S36
分子结构式:
SDS:
查看

1-乙炔基-3,5-二氟苯 物化性质

密度:
1.17g/cm3
沸点:
147.1ºC at 760mmHg
闪点:
32ºC
折射率:
n20/D 1.4910(lit.)
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。

稳定性相关:

常温常压下稳定,避免与强氧化剂接触。远离热源,火花,火焰。

其它信息:

1.      性状:浅黄色液体

2.      密度(g/mL,25):1.163

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):123-124

6.      沸点(ºC1.5mmHg):未确定

7.      折射率(n20/D)1.4910

8.      闪点(ºC):33

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,20ºC):未确定

12.   饱和蒸气压(kPa,25ºC):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

1-乙炔基-3,5-二氟苯 安全信息

危险类别码:
R10
安全说明:
S16
安全标志:
S16:远离火源。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
危险标志:
Xi: Irritant;

1-乙炔基-3,5-二氟苯 MSDS


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
    Product name        : 1-Ethynyl-3,5-difluorobenzene    

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
    According to Regulation (EC) No1272/2008
    Flammable liquids (Category 3)
    Skin irritation (Category 2)
    Eye irritation (Category 2)
    Specific target organ toxicity - single exposure (Category 3)
    According to European Directive 67/548/EEC as amended.
    Flammable. Irritating to eyes, respiratory system and skin.
  Label elements
    Pictogram
    Signal word        Warning    
    Hazard statement(s)
    H226        Flammable liquid and vapour.    
    H315        Causes skin irritation.    
    H319        Causes serious eye irritation.    
    H335        May cause respiratory irritation.    
    Precautionary statement(s)
    P261        Avoid breathing dust/fume/gas/mist/vapours/spray.    
    P305 + P351 + P338        IF IN EYES: Rinse cautiously with water for several minutes. Remove    
    contact lenses, if present and easy to do. Continue rinsing.
    Hazard symbol(s)
    Xi        Irritant    
    R-phrase(s)
    R10        Flammable.    
    R36/37/38        Irritating to eyes, respiratory system and skin.    
    S-phrase(s)
    S16        Keep away from sources of ignition - No smoking.    
    S26        In case of contact with eyes, rinse immediately with plenty of water and    
    seek medical advice.
    S36        Wear suitable protective clothing.    
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
    Formula        : C8H4F2    
    Molecular Weight        : 138,11 g/mol    
    CAS-No.        EC-No.        Index-No.        Classification        Concentration    
  1-Ethynyl-3,5-difluorobenzene
    151361-87-4        -        -        Flam. Liq. 3; Skin Irrit. 2; Eye        -    
    Irrit. 2; STOT SE 3; H226,
    H315, H319, H335
    Xi, R10 - R36/37/38
    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
    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
    Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
    Remove all sources of ignition. Beware of vapours accumulating to form explosive concentrations. Vapours
    can accumulate in low areas.
  Environmental precautions
    Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Contain spillage, and then collect with non-combustible absorbent material, (e.g. sand, earth, diatomaceous
    earth, vermiculite) and place in container for disposal according to local / national 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
    Store in cool place. 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.

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
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the
    standard EN 374 derived from it.
    Handle with gloves.
  Eye protection
    Face shield and safety glasses
  Skin and body protection
    Choose body protection according to the amount and concentration of the dangerous substance at the
    work place.
  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        light yellow    
  Safety data
    pH no data available
    Melting point        no data available    
    Boiling point        123 - 124 °C - lit.    
    Flash point        33 °C - closed cup    
    Ignition temperature no data available
    Lower explosion limit no data available
    Upper explosion limit no data available
    Density        1,163 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
    Inhalation - May cause respiratory irritation.
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Potential health effects
  Inhalation        May be harmful if inhaled. Causes respiratory tract irritation.    
  Ingestion        May be harmful if swallowed.    
  Skin        May be harmful if absorbed through skin. Causes skin irritation.    
  Eyes        Causes eye irritation.    
  Signs and Symptoms of Exposure
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
    investigated.
  Additional Information
    RTECS: no data 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. This combustible material may be burned in a chemical incinerator
    equipped with an afterburner and scrubber. Observe all federal, state, and local environmental regulations.
    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. (1-Ethynyl-3,5-difluorobenzene)
  IMDG
    UN-Number: 1993 Class: 3        Packing group: III        EMS-No: F-E, S-E    
    Proper shipping name: FLAMMABLE LIQUID, N.O.S. (1-Ethynyl-3,5-difluorobenzene)
    Marine pollutant: No
  IATA
    UN-Number: 1993 Class: 3        Packing group: III    
    Proper shipping name: Flammable liquid, n.o.s. (1-Ethynyl-3,5-difluorobenzene)



SECTION 15 - REGULATORY INFORMATION
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A

1-乙炔基-3,5-二氟苯 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):2.4

2.氢键供体数量:0

3.氢键受体数量:2

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:10

8.表面电荷:0

9.复杂度:146

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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