ethyl 2,3-dicyano-3-methylbutanoate

ethyl 2,3-dicyano-3-methylbutanoate 基本信息
CAS号 52119-01-4 分子式 C9H12N2O2
分子量 180.20400 精确质量  180.09000
PSA  73.88000 LogP  1.23906

基本信息 展开↓

CAS号:
52119-01-4
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分子式:
C9H12N2O2
分子量:
180.20400
中文名称:
ethyl 2,3-dicyano-3-methylbutanoate
英文名称:
ethyl 2,3-dicyano-3-methylbutanoate
中文别名:
ethyl 2,3-dicyano-3-methylbutanoate
英文别名:
ethyl 2,3-dicyano-3-methylbutanoate;
2,3-dicyano-3-methyl-butyric acid ethyl ester
精确分子量/精确质量:
180.09000
极性分子表面积/PSA:
73.88000
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:
The Key: BRGYCCHEMNLMCK-UHFFFAOYSA-N

物化性质展开↓

密度:
1.074g/cm3
沸点:
340.3ºC at 760 mmHg
闪点:
148.4ºC
折射率:
1.452

合成路线查看所有的合成路线

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    丙酮

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  • 52119-01-4

    ethyl 2,3-dicyano-3-methylbutanoate

  • 74-90-8

    氰化氢

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  • 759-58-0

    2-氰基-3-甲基丁烯酸乙酯

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    ethyl 2,3-dicyano-3-methylbutanoate

  • 75-86-5

    丙酮氰醇

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  • 105-56-6

    氰乙酸乙酯

  • 52119-01-4

    ethyl 2,3-dicyano-3-methylbutanoate

MSDS 展开↓

    Version 1.2
    Regulation (EC) No 1907/2006

    1 - Product and Company Information

    Product Name        ETHYL 2,3-DICYANO-3-METHYLBUTY - 250 MG    
    RATE

    2 - Hazards Identification

    SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
    Harmful by inhalation, in contact with skin and if swallowed.

    3 - Composition/Information on Ingredients

    Product Name        CAS #        EC no        Annex I    
    Index Number
    ETHYL 2,3-DICYANO-3-METHYLBUTYRATE 52119-01-4 None        None    
    Formula        C9H12N2O2    

    4 - First Aid Measures

    AFTER INHALATION
    If inhaled, remove to fresh air. If not breathing give
    artificial respiration. If breathing is difficult, give oxygen.
    AFTER INGESTION
    If swallowed, wash out mouth with water provided person is
    conscious. Call a physician.

    5 - Fire Fighting Measures

    EXTINGUISHING MEDIA
    Suitable: Carbon dioxide, dry chemical powder, or appropriate
    foam.
    SPECIAL RISKS
    Specific Hazard(s): Emits toxic fumes under fire conditions.
    SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
    Wear self-contained breathing apparatus and protective clothing
    to prevent contact with skin and eyes.
    ALDRICH        www.molbase.com    

    6 - Accidental Release Measures

    PERSONAL PRECAUTION PROCEDURES TO BE FOLLOWED IN CASE OF LEAK OR SPILL
    Evacuate area.
    PROCEDURE(S) OF PERSONAL PRECAUTION(S)
    Wear self-contained breathing apparatus, rubber boots, and heavy
    rubber gloves.
    METHODS FOR CLEANING UP
    Cover with dry lime or soda ash, pick up, keep in a closed
    container, and hold for waste disposal. Ventilate area and wash
    spill site after material pickup is complete.

    7 - Handling and Storage

    HANDLING
    Directions for Safe Handling: Do not breathe vapor. Do not get
    in eyes, on skin, on clothing. Avoid prolonged or repeated
    exposure.
    STORAGE
    Conditions of Storage: Keep tightly closed. Store in a cool dry
    place.

    8 - Exposure Controls / Personal Protection

    ENGINEERING CONTROLS
    Safety shower and eye bath. Use only in a chemical fume hood.
    GENERAL HYGIENE MEASURES
    Wash thoroughly after handling. Discard contaminated shoes.
    PERSONAL PROTECTIVE EQUIPMENT
    Special Protective Measures: Wear appropriate government approved
    respirator, chemical-resistant gloves, safety goggles, other
    protective clothing.

    9 - Physical and Chemical Properties

    pH N/A
    BP/BP Range        N/A    
    MP/MP Range        N/A    
    Flash Point        N/A    
    Flammability        N/A    
    Autoignition Temp        N/A    
    Oxidizing Properties N/A
    Explosive Properties N/A
    Explosion Limits        N/A    
    Vapor Pressure        N/A    
    Partition Coefficient N/A
    Viscosity        N/A    
    Vapor Density        N/A    
    Saturated Vapor Conc. N/A
    Evaporation Rate        N/A    
    Bulk Density        N/A    
    Decomposition Temp.        N/A    
    Solvent Content        N/A    
    Water Content        N/A    
    ALDRICH        www.molbase.com    
    Surface Tension        N/A    
    Conductivity        N/A    
    Miscellaneous Data        N/A    
    Solubility        N/A    

    10 - Stability and Reactivity

    STABILITY
    Materials to Avoid: Strong oxidizing agents.
    HAZARDOUS DECOMPOSITION PRODUCTS
    Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
    Nitrogen oxides, Hydrogen cyanide.

    11 - Toxicological Information

    SIGNS AND SYMPTOMS OF EXPOSURE
    To the best of our knowledge, the chemical, physical, and
    toxicological properties have not been thoroughly investigated.
    ROUTE OF EXPOSURE
    Skin Contact: May cause skin irritation.
    Eye Contact: May cause eye irritation.
    Inhalation: Material may be irritating to mucous membranes and
    upper respiratory tract.
    Multiple Routes: Harmful if swallowed, inhaled, or absorbed
    through skin.

    12 - Ecological Information

    No data available.

    13 - Disposal Considerations

    SUBSTANCE DISPOSAL
    Dissolve or mix the material with a combustible solvent and burn
    in a chemical incinerator equipped with an afterburner and
    scrubber. Observe all federal, state, and local environmental
    regulations.

    14 - Transport Information

    RID/ADR
    Non-hazardous for road transport.
    IMDG
    Non-hazardous for sea transport.
    IATA
    Non-hazardous for air transport.

    15 - Regulatory Information

    CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
    INDICATION OF DANGER: Xn
    Harmful.
    R-PHRASES: 20/21/22
    Harmful by inhalation, in contact with skin and if swallowed.
    S-PHRASES: 36
    Wear suitable protective clothing.
    ALDRICH        www.molbase.com    
    Caution: Substance not yet fully tested (EU).
    COUNTRY SPECIFIC INFORMATION
    Germany
    WGK: 3
    Self-Classification

    16 - Other Information

    WARRANTY
    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. Inc.,
    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.
    Copyright 2010 Co. License granted to make
    unlimitedpaper copies for internal use only.
    DISCLAIMER
    For R&D use only. Not for drug, household or other uses.
    ALDRICH        www.molbase.com    


SECTION 16 - ADDITIONAL INFORMATION
N/A

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