(R)-(4-氟苯基)环氧乙烷

(R)-(4-氟苯基)环氧乙烷 基本信息
CAS号 134356-73-3 分子式 C8H7FO
分子量 138.13900 精确质量  138.04800
PSA  12.53000 LogP  1.89700

等价的CAS号:

18511-62-1,53631-23-5,134356-74-4,134356-73-3

基本信息 展开↓

CAS号:
134356-73-3
3D弹球模型:
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分子式:
C8H7FO
分子量:
138.13900
中文名称:
(R)-(4-氟苯基)环氧乙烷
英文名称:
(2R)-2-(4-fluorophenyl)oxirane
中文别名:
(R)-(4-氟苯基)环氧乙烷;
(R)-(-)-4-氟苯乙烯氧化物;
(R)-(-)-4-氟氧化苯乙烯
英文别名:
(2R)-2-(4-fluorophenyl)oxirane;
4-F-styrene oxide;
4-fluorostyrene oxide;
(R)-2-(4-Fluorophenyl)oxirane
精确分子量/精确质量:
138.04800
极性分子表面积/PSA:
12.53000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
InChI=1/C8H7FO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2/t8-/m0/s1

物化性质展开↓

密度:
1.225g/cm3
沸点:
33ºC 1mm
闪点:
22ºC
折射率:
1.5078
蒸汽压:
0.707mmHg at 25°C

安全信息展开↓

包装等级:
III
危险类别码:
R10;R21/22;R36/37/38;R40
安全说明:
S26-S36/37
危险标志:
Xn:Harmful;

MSDS 展开↓


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : (R)-(4-Fluorophenyl)oxirane    
    CAS-No.        : 134356-73-3    
  Relevant identified uses of the substance or mixture and uses advised against
    Identified uses        : Laboratory chemicals, Manufacture of substances    
  
  

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
  Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
    Flammable liquids (Category 2)
    Acute toxicity, Dermal (Category 4)
    Acute toxicity, Oral (Category 3)
    Skin irritation (Category 2)
    Eye irritation (Category 2)
    Carcinogenicity (Category 2)
    Specific target organ toxicity - single exposure (Category 3)
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Flammable. Harmful in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin.
    Limited evidence of a carcinogenic effect.
  Label elements
  Labelling according Regulation (EC) No 1272/2008 [CLP]
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    H225        Highly flammable liquid and vapour.    
    H301        Toxic if swallowed.    
    H312        Harmful in contact with skin.    
    H315        Causes skin irritation.    
    H319        Causes serious eye irritation.    
    H335        May cause respiratory irritation.    
    H351        Suspected of causing cancer.    
    Precautionary statement(s)
    P210        Keep away from heat/sparks/open flames/hot surfaces. - No smoking.    
    P261        Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.    
    P280        Wear protective gloves/ protective clothing.    
    P301 + P310        IF SWALLOWED: Immediately call a POISON CENTER or doctor/    
    physician.
    P305 + P351 + P338        IF IN EYES: Rinse cautiously with water for several minutes. Remove    
    contact lenses, if present and easy to do. Continue rinsing.
    Supplemental Hazard        none    
    Statements
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)
    R-phrase(s)
    R10        Flammable.    
    R21/22        Harmful in contact with skin and if swallowed.    
    R36/37/38        Irritating to eyes, respiratory system and skin.    
    R40        Limited evidence of a carcinogenic effect.    
    S-phrase(s)
    S26        In case of contact with eyes, rinse immediately with plenty of water and    
    seek medical advice.
    S36/37        Wear suitable protective clothing and gloves.    
    Caution - substance not yet tested completely.
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Synonyms        : (R)-4-Fluorostyrene oxide    
    Formula        : C8H7FO    
    Molecular Weight        : 138,14 g/mol    
    Component        Concentration    
  (R)-(4-Fluorophenyl)oxirane
    CAS-No.        134356-73-3        -    

Section 4. FIRST AID MEASURES
  Description of 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. 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.
  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
    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 hazards arising from the substance or mixture
    Carbon oxides, Hydrogen fluoride
  Advice for firefighters
    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, protective equipment and emergency procedures
    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).
  Reference to other sections
    For disposal see section 13.

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, including any incompatibilities
    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.
    Store under inert gas. Air sensitive.
  Specific end uses
    no data available

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
    the product.
  Personal protective equipment
  Eye/face 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 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
    Complete suit protecting against chemicals, 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.
  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).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Information on basic physical and chemical properties
    a) Appearance        Form: liquid    
    Colour: light yellow
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        no data available    
    point
    f) Initial boiling point and 92 °C at 19 hPa
    boiling range
    g) Flash point        22,2 °C - closed cup    
    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        1,167 g/cm3    
    n) Water solubility        no data available    
    o) Partition coefficient: n- log Pow: 2,1
    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
    Heat, flames and sparks. Extremes of temperature and direct sunlight.
  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
    Limited evidence of carcinogenicity in animal studies
    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        Toxic if swallowed.    
  Skin        Harmful if absorbed through skin. Causes skin irritation.    
  Eyes
    Causes serious 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
    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
  UN number
    ADR/RID: 1992        IMDG: 1992        IATA: 1992    
  UN proper shipping name
    ADR/RID: FLAMMABLE LIQUID, TOXIC, N.O.S. ((R)-(4-Fluorophenyl)oxirane)
    IMDG: FLAMMABLE LIQUID, TOXIC, N.O.S. ((R)-(4-Fluorophenyl)oxirane)
    IATA:        Flammable liquid, toxic, n.o.s. ((R)-(4-Fluorophenyl)oxirane)    
  Transport hazard class(es)
    ADR/RID: 3 (6.1)        IMDG: 3 (6.1)        IATA: 3 (6.1)    
  Packaging group
    ADR/RID: II        IMDG: II        IATA: II    
  Environmental hazards
    ADR/RID: no        IMDG Marine pollutant: no        IATA: no    
  Special precautions for user
    no data available



SECTION 15 - REGULATORY INFORMATION
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

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: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12.5

7.重原子数量:10

8.表面电荷:0

9.复杂度:118

10.同位素原子数量:0

11.确定原子立构中心数量:1

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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