2,2-二甲基丙二腈

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 结构与计算化学
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2,2-二甲基丙二腈 基本信息

中文名称:
2,2-二甲基丙二腈 
中文别名:
2,2-二甲基丙二腈;
二甲基丙二腈 
英文名称:
Propanedinitrile,2,2-dimethyl-
英文别名:
2,2-dimethylpropanedinitrile;
2,2-dimethylmalodinitrile;
Malononitrile,dimethyl;
2,2-dimethyl-propanedinitrile;
Dimethylmalonodinitrile;
2,2-dimethyl malononitrile;
Dimethyl malononitrile;
dicyanodi(methyl)methane;
Propanedinitrile,dimethyl;
2,2-Dicyanopropane 
CAS No.:
7321-55-3
分 子 式:

C5H6N2

分 子 量:
94.11
精确分子量:
94.05310
PSA:
47.58000
MDL:
MFCD01321253
InChI:
The Key: BCMJJXWXMZYZKN-UHFFFAOYSA-N
危险品标志:

 

风险术语:

R11R23/24/25R36/37/38

安全术语:

S16S26S45S36/S37/S39

分子结构式:
SDS:
查看

2,2-二甲基丙二腈 物化性质

密度:
0.961g/cm3
熔点:
31-33ºC(lit.)
沸点:
169.5ºC at 760mmHg
闪点:
77.8ºC
折射率:
1.424
存储条件/存储方法:

密闭,阴凉干燥处保存

稳定性相关:

常温常压下稳定,避免强氧化剂

2,2-二甲基丙二腈 安全信息

危险类别码:
11-23/24/25-36/37/38
安全说明:
S16-S26-S45-S36-S37-S39
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。
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:
F,T

2,2-二甲基丙二腈 MSDS


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : Dimethylmalononitrile    
    CAS-No.        : 7321-55-3    
  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]
    Acute toxicity, Inhalation (Category 3)
    Acute toxicity, Dermal (Category 3)
    Acute toxicity, Oral (Category 3)
    Skin irritation (Category 2)
    Eye irritation (Category 2)
    Specific target organ toxicity - single exposure (Category 3)
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Highly flammable. Toxic by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory
    system and skin.
  Label elements
  Labelling according Regulation (EC) No 1272/2008 [CLP]
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    H301        Toxic if swallowed.    
    H311        Toxic in contact with skin.    
    H315        Causes skin irritation.    
    H319        Causes serious eye irritation.    
    H331        Toxic if inhaled.    
    H335        May cause respiratory irritation.    
    Precautionary statement(s)
    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.
    P311        Call a POISON CENTER or doctor/ physician.    
    Supplemental Hazard        none    
    Statements
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)
    R-phrase(s)
    R11        Highly flammable.    
    R23/24/25        Toxic by inhalation, in contact with skin and if swallowed.    
    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.
    S36/37/39        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 - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Formula        : C5H6N2    
    Molecular Weight        : 94,11 g/mol    
    Component        Concentration    
  Dimethylmalononitrile
    CAS-No.        7321-55-3        -    

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
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.
  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, nitrogen oxides (NOx), Hydrogen cyanide (hydrocyanic acid)
  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). Keep in suitable, closed
    containers for disposal.
  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.
  Specific end use(s)
    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, 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: white
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        Melting point/range: 31 - 33 °C - lit.    
    point
    f) Initial boiling point and 120 °C at 44 hPa - lit.
    boiling range
    g) Flash point        63 °C - closed cup    
    h) Evaporation rate        no data available    
    i) Flammability (solid, gas) The substance or mixture is a flammable solid with the category 2.
    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        no data available    
    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
    no data available
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    Heat, flames and sparks.
  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
    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        Toxic if inhaled. Causes respiratory tract irritation.    
  Ingestion        Toxic if swallowed.    
  Skin        Toxic if absorbed through skin. Causes skin irritation.    
  Eyes        Causes serious 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: 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
    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
  UN number
    ADR/RID: 2926        IMDG: 2926        IATA: 2926    
  UN proper shipping name
    ADR/RID: FLAMMABLE SOLID, TOXIC, ORGANIC, N.O.S. (Dimethylmalononitrile)
    IMDG: FLAMMABLE SOLID, TOXIC, ORGANIC, N.O.S. (Dimethylmalononitrile)
    IATA:        Flammable solid, toxic, organic, n.o.s. (Dimethylmalononitrile)    
  Transport hazard class(es)
    ADR/RID: 4.1 (6.1)        IMDG: 4.1 (6.1)        IATA: 4.1 (6.1)    
  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
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A

2,2-二甲基丙二腈 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:25.00

2、   摩尔体积(m3/mol):97.8

3、   等张比容(90.2K):242.7

4、   表面张力(dyne/cm):37.8

5、   极化率10-24cm3):9.91

计算化学数据

1.疏水参数计算参考值(XlogP):0.8

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:0

5.互变异构体数量:无

6.拓扑分子极性表面积47.6

7.重原子数量:7

8.表面电荷:0

9.复杂度:131

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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