苯乙烯-α, β, β-d3

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

苯乙烯-α, β, β-d3 基本信息

中文名称:
苯乙烯-α, β, β-d3 
中文别名:
苯乙烯-α, β, β-d3;
苯乙烯-Α,Β,Β-D3 
英文名称:
Styrene-α, β, β-d3
英文别名:
Benzene, ethenyl-1,2,2-d3-;
1,2,2-trideuterioethenylbenzene;
DE935;
styrene-2,3,3-d3;
Styrene-|A,|A,|A-d3 
CAS No.:
3814-93-5
分 子 式:
C6H5CD=CD2
分 子 量:
107.17
精确分子量:
107.03913
PSA:
0.00000
MDL:
MFCD00084182
InChI:
The Key: PPBRXRYQALVLMV-FUDHJZNOSA-N
风险术语:
R10R20R36/38
安全术语:
S23
分子结构式:
SDS:
查看

苯乙烯-α, β, β-d3 物化性质

密度:
0.935 g/mL at 25ºC(lit.)
熔点:
-31ºC
沸点:
50-51ºC25 mm Hg(lit.)
闪点:
31ºC
折射率:
n20/D 1.546(lit.)
存储条件/存储方法:

密闭,阴凉干燥处保存

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险发生

其它信息:

1.       性状:未确定

2.       密度(g/mL at 25°C0.935

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):-31

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,25mmHg):50-51

7.       折射率(n20/D):1.546

8.       闪点(ºC):31

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,37ºC):未确定

12.    饱和蒸气压(kPa,114.4 ºC):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(MPa):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

苯乙烯-α, β, β-d3 安全信息

危险类别码:
10-20-36/38
安全说明:
23
安全标志:
S23:不要吸入蒸汽。
危险标志:
Xn: Harmful;

苯乙烯-α, β, β-d3 MSDS


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    : Styrene-α, β, β-d3
    Product name
    REACH No.        : A registration number is not available for this substance as the substance    
    or its uses are exempted from registration, the annual tonnage does not
    require a registration or the registration is envisaged for a later
    registration deadline.
    CAS-No.        : 3814-93-5    
  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
    Eye irritation (Category 2), H319
    Flammable liquids (Category 3), H226
    Acute toxicity, Inhalation (Category 4), H332
    Skin irritation (Category 2), H315
    For the full text of the H-Statements mentioned in this Section, see Section 16.
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    R10
    Xn Harmful        R20    
    Xi Irritant        R36/38    
    For the full text of the R-phrases mentioned in this Section, see Section 16.
  Label elements
  Labelling according Regulation (EC) No 1272/2008
    Pictogram
    Signal word        Warning    
    Hazard statement(s)
    H226        Flammable liquid and vapour.    
    H315        Causes skin irritation.    
    H319        Causes serious eye irritation.    
    H332        Harmful if inhaled.    
    Precautionary statement(s)
    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
  Other hazards - none

SECTION 3: Composition/information on ingredients
  Substances
    Chemical characterization : Isotopically labeled
    Formula        : C8D3H5    
    Molecular Weight        : 107,17 g/mol    
    CAS-No.        : 3814-93-5    
  Hazardous ingredients according to Regulation (EC) No 1272/2008
    Component        Classification        Concentration    
  Styrene-a, ß, ß-d3
    Flam. Liq. 3; Acute Tox. 4;        -    
    Skin Irrit. 2; Eye Irrit. 2; H226,
    H315, H319, H332
  Hazardous ingredients according to Directive 1999/45/EC
    Component        Classification        Concentration    
  Styrene-a, ß, ß-d3
    Xn, R10 - R20 - R36/38        -    
    For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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. 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
    The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
    section 11
  Indication of any immediate medical attention and special treatment needed
    no data available

SECTION 5: Firefighting measures
  Extinguishing media
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special hazards arising from the substance or mixture
    Carbon oxides
  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
    Use personal protective equipment. Avoid breathing vapours, 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.
    For personal protection see section 8.
  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.
    For precautions see section 2.2.
  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. hygroscopic
  Specific end use(s)
    A part from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
    at the end of workday.
  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).
  Control of environmental exposure
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains.

SECTION 9: Physical and chemical properties
  Information on basic physical and chemical properties
    a) Appearance        Form: liquid    
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        Melting point/range: -31 °C    
    point
    f) Initial boiling point and 145 - 146 °C - lit.
    boiling range
    g) Flash point        31,1 °C - closed cup    
    h) Evapouration 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        0,935 g/mL at 25 °C0,935 g/cm3 at 25 °C    
    n) Water solubility        no data available    
    o) Partition coefficient: n- no data available
    octanol/water
    p) Auto-ignition        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
    Stable under recommended storage conditions.
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    Heat, flames and sparks.
  Incompatible materials
    no data available
  Hazardous decomposition products
    Other decomposition products - no data available
    In the event of fire: see section 5

SECTION 11: Toxicological information
  Information on toxicological effects
  Acute toxicity
    no data available
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
  Respiratory or skin sensitisation
    no data available
  Germ cell mutagenicity
  Carcinogenicity
    IARC:        2B - Group 2B: Possibly carcinogenic to humans (Styrene-a, ß, ß-d3)    
  Reproductive toxicity
  Specific target organ toxicity - single exposure
    no data available
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Additional Information
    RTECS: Not available
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.

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
    PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
  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.
  Contaminated packaging
    Dispose of as unused product.

SECTION 14: Transport information
  UN number
    ADR/RID: 2055        IMDG: 2055        IATA: 2055    
  UN proper shipping name
    ADR/RID: STYRENE MONOMER, STABILIZED
    IMDG: STYRENE MONOMER, STABILIZED
    IATA:        Styrene monomer, stabilized    
  Transport hazard class(es)
    ADR/RID: 3        IMDG: 3        IATA: 3    
  Packaging group
    ADR/RID: III        IMDG: III        IATA: III    
  Environmental hazards
    ADR/RID: no        IMDG Marine pollutant: no        IATA: no    
  Special precautions for user
    no data available

SECTION 15: Regulatory information
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
  Safety, health and environmental regulations/legislation specific for the substance or mixture
    no data available
  Chemical Safety Assessment
    For this product a chemical safety assessment was not carried out

SECTION 16: Other information
  Full text of H-Statements referred to under sections 2 and 3.
    Acute Tox.        Acute toxicity    
    Eye Irrit.        Eye irritation    
    Flam. Liq.        Flammable liquids    
    H226        Flammable liquid and vapour.    
    H315        Causes skin irritation.    
    H319        Causes serious eye irritation.    
    H332        Harmful if inhaled.    
    Skin Irrit.        Skin irritation    
  Full text of R-phrases referred to under sections 2 and 3
    Xn        Harmful    
    R10        Flammable.    
    R20        Harmful by inhalation.    
    R36/38        Irritating to eyes and skin.    
  Further information
    Copyright 2013 Co. LLC. 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. Corporation and its Affiliates shall not be held
    liable for any damage resulting from handling or from contact with the above product. See
     and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

苯乙烯-α, β, β-d3 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:37.17

2、   摩尔体积(m3/mol):115.3

3、   等张比容(90.2K):272.2

4、   表面张力(dyne/cm):30.9

5、   介电常数(F/m):无可用

6、   偶极距(D):无可用

7、   极化率(10-24cm3):14.73

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:0

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:8

8.表面电荷:0

9.复杂度:68.1

10.同位素原子数量:3

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

苯乙烯-α, β, β-d3 上游产品

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