2-乙基-2-硝基-1,3-丙二醇

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

2-乙基-2-硝基-1,3-丙二醇 基本信息

中文名称:
2-乙基-2-硝基-1,3-丙二醇 
中文别名:
2-乙基-2-硝基-1,3-丙二醇;
2-乙基-2-硝基-1,3-丙烷二醇 
英文名称:
1,3-Propanediol,2-ethyl-2-nitro-
英文别名:
2-ethyl-2-nitropropane-1,3-diol;
1,3-Propanediol,2-ethyl-2-nitro;
2-ETHYL-2-NITRO-1,3-PROPANEDIOL;
2-Nitro-2-ethyl-1,3-propanediol;
2-Aethyl-2-nitro-propan-1,3-diol;
EINECS 209-893-3;
2-ethyl-2-nitro-propane-1,3-diol;
2-Ethyl-2-nitropropanediol 
CAS No.:
597-09-1
分 子 式:
C5H11NO4
分 子 量:
149.15
精确分子量:
149.06900
PSA:
86.28000
InChI:
The Key: YADISKICBOYXFS-UHFFFAOYSA-N
风险术语:
R36/37/38
安全术语:
S26-36
分子结构式:
SDS:
查看

2-乙基-2-硝基-1,3-丙二醇 物化性质

密度:
1.254 g/cm3
熔点:
55-56ºC
沸点:
321.9ºC at 760 mmHg
闪点:
148.2ºC
折射率:
1.488
存储条件/存储方法:

贮存:

将密器密封,储存密封的主藏器内,并放在阴凉, 干爽的位置。

 

其它信息:

物性数据:

2-乙基-2-硝基-1,3-丙二醇 安全信息

危险类别码:
36/37/38
安全说明:
26-36

2-乙基-2-硝基-1,3-丙二醇 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TY6736000
CHEMICAL NAME :
1,3-Propanediol, 2-ethyl-2-nitro-
CAS REGISTRY NUMBER :
597-09-1
BEILSTEIN REFERENCE NO. :
1705448
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C5-H11-N-O4

2-乙基-2-硝基-1,3-丙二醇 MSDS

    Version 1.1
    Regulation (EC) No 1907/2006

    1 - Product and Company Information

    Product Name        2-ETHYL-2-NITRO-1,3-PROPANEDIO - 50 MG L    

    2 - Hazards Identification

    SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
    Harmful if swallowed. May cause sensitization by skin contact.

    3 - Composition/Information on Ingredients

    Product Name        CAS #        EC no        Annex I    
    Index Number
    2-ETHYL-2-NITRO-1,3-PROPANEDIOL 597-09-1 209-893-3 None
    Formula        C5H11NO4    
    Molecular Weight 149,1500 AMU
    Synonyms        AI3-02257 * 2-Ethyl-2-nitro-1,3-propanediol    

    4 - First Aid Measures

    AFTER INHALATION
    If inhaled, remove to fresh air. If breathing becomes difficult,
    call a physician.
    AFTER SKIN CONTACT
    In case of skin contact, flush with copious amounts of water for
    at least 15 minutes. Remove contaminated clothing and shoes.
    Call a physician.
    AFTER EYE CONTACT
    In case of contact with eyes, flush with copious amounts of
    water for at least 15 minutes. Assure adequate flushing by
    separating the eyelids with fingers. Call a physician.
    AFTER INGESTION
    If swallowed, wash out mouth with water provided person is
    conscious. Call a physician.

    5 - Fire Fighting Measures
    ALDRICH        www.molbase.com    

    EXTINGUISHING MEDIA
    Suitable: Water spray. 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.

    6 - Accidental Release Measures

    PROCEDURE(S) OF PERSONAL PRECAUTION(S)
    Wear respirator, chemical safety goggles, rubber boots, and
    heavy rubber gloves.
    METHODS FOR CLEANING UP
    Absorb on sand or vermiculite and place in closed containers for
    disposal. Ventilate area and wash spill site after material
    pickup is complete.

    7 - Handling and Storage

    HANDLING
    Directions for Safe Handling: Avoid contact with eyes, skin, and
    clothing. Do not breathe vapor. Avoid prolonged or repeated
    exposure.
    STORAGE
    Conditions of Storage: Keep tightly closed.

    8 - Exposure Controls / Personal Protection

    ENGINEERING CONTROLS
    Mechanical exhaust required.
    GENERAL HYGIENE MEASURES
    Wash thoroughly after handling. Wash contaminated clothing before
    reuse.
    PERSONAL PROTECTIVE EQUIPMENT
    Respiratory Protection: Use respirators and components tested and
    approved under appropriate government standards such as NIOSH (US)
    or CEN (EU). 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.
    Special Protective Measures: Wear appropriate government approved
    respirator, chemical-resistant gloves, safety goggles, other
    protective clothing.

    9 - Physical and Chemical Properties

    Appearance        Physical State: Liquid    
    Property        Value        At Temperature or Pressure    
    ALDRICH        www.molbase.com    
    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 Log Kow: - 1,672.
    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    
    Surface Tension        N/A    
    Conductivity        N/A    
    Miscellaneous Data        N/A    
    Solubility        N/A    

    10 - Stability and Reactivity

    STABILITY
    Stable: Stable.
    Materials to Avoid: Oxidizing agents.
    HAZARDOUS DECOMPOSITION PRODUCTS
    Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
    Nitrogen oxides.
    HAZARDOUS POLYMERIZATION
    Hazardous Polymerization: Will not occur

    11 - Toxicological Information

    RTECS NUMBER: TY6736000
    SENSITIZATION
    Sensitization: Sensitizer.
    Skin: May cause allergic skin reaction. The preceding data, or
    interpretation of data, was determined using Quantitative
    Structure Activity Relationship (QSAR) modeling.
    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.
    Skin Absorption: May be harmful if absorbed through the skin.
    Eye Contact: May cause eye irritation.
    Inhalation: May be harmful if inhaled. Material may be
    irritating to mucous membranes and upper respiratory tract.
    Ingestion: Harmful if swallowed.

    12 - Ecological Information
    ALDRICH        www.molbase.com    

    No data available.

    13 - Disposal Considerations

    SUBSTANCE DISPOSAL
    Contact a licensed professional waste disposal service to dispose
    of this material. 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: 22-43
    Harmful if swallowed. May cause sensitization by skin contact.
    S-PHRASES: 36/37
    Wear suitable protective clothing and gloves.

    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

2-乙基-2-硝基-1,3-丙二醇 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:34.27

2   摩尔体积(m3/mol):118.9

3   等张比容(90.2K):318.1

4   表面张力(dyne/cm):51.2

5 极化率(10-24cm3):13.58

计算化学数据

1.疏水参数计算参考值(XlogP):-0.6

2.氢键供体数量:2

3.氢键受体数量:4

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积86.3

7.重原子数量:10

8.表面电荷:0

9.复杂度:115

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

2-乙基-2-硝基-1,3-丙二醇 上游产品

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