1-氮丙啶丙腈

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

1-氮丙啶丙腈 基本信息

中文名称:
1-氮丙啶丙腈 
中文别名:
1-氮丙啶丙腈;
3-(aziridin-1-yl)propanenitrile 
英文名称:
1-Aziridinepropanenitrile
英文别名:
3-(aziridin-1-yl)propanenitrile;
1-Aziridinepropanenitrile;
3-Aziridin-1-yl-propionitril;
3-aziridin-1-yl-propionitrile;
1-Aziridinepropionitrile 
CAS No.:
1072-66-8
分 子 式:
C5H8N2
分 子 量:
96.15
精确分子量:
96.06870
PSA:
26.80000
InChI:
The Key: OUZLDCCUOMNCON-UHFFFAOYSA-N
安全术语:
Poison by ingestion. Mutation data reported. See also NITRILES. When heated to decomposition it emits toxic fumes of NOx.
分子结构式:
SDS:
查看

1-氮丙啶丙腈 物化性质

密度:
1.047g/cm3
沸点:
200.9ºC at 760mmHg
闪点:
82.6ºC
折射率:
1.492
蒸汽压:
0.317mmHg at 25°C
存储条件/存储方法:
通风低温干燥,与库房食品原料分开存放

1-氮丙啶丙腈 安全信息

海关代码:
2933990090

1-氮丙啶丙腈 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CM8750000
CHEMICAL NAME :
1-Aziridine propionitrile
CAS REGISTRY NUMBER :
1072-66-8
BEILSTEIN REFERENCE NO. :
0105260
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C5-H8-N2
MOLECULAR WEIGHT :
96.15
WISWESSER LINE NOTATION :
T3NTJ A2CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TEST SYSTEM :
Rodent - rat
DOSE/DURATION :
20 mg/kg
REFERENCE :
BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 6,357,1951
毒理学数据:

口服-大鼠 LDL0: 100 毫克/公斤

1-氮丙啶丙腈 MSDS

    Version 1.1
    Regulation (EC) No 1907/2006

    1 - Product and Company Information

    Product Name        1-(2-CYANOETHYL)AZIRIDINE - 250 MG    

    2 - Hazards Identification

    SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
    Harmful by inhalation and in contact with skin. Toxic if
    swallowed. Irritating to eyes, respiratory system and skin.

    3 - Composition/Information on Ingredients

    Product Name        CAS #        EC no        Annex I    
    Index Number
    1-(2-CYANOETHYL)AZIRIDINE        1072-66-8 None        None    
    Formula        C5H8N2    
    Molecular Weight 96,1300 AMU
    Synonyms        1-Aziridinepropanenitrile *    
    N-(2-Cyanoethyl)aziridine *
    1-(2-Cyanoethyl)aziridine *
    N-(beta-Cyanoethyl)ethylenimine *
    1-(2-Cyanoethyl)ethylenimine

    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 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.
    ALDRICH        www.molbase.com    
    AFTER INGESTION
    If swallowed, wash out mouth with water provided person is
    conscious. Call a physician immediately.

    5 - Fire Fighting Measures

    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

    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
    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: 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.

    8 - Exposure Controls / Personal Protection

    ENGINEERING CONTROLS
    Use only in a chemical fume hood. Safety shower and eye bath.
    GENERAL HYGIENE MEASURES
    Wash contaminated clothing before reuse. Wash thoroughly after
    handling.
    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.
    Hand Protection: Compatible chemical-resistant gloves.
    Eye Protection: Chemical safety goggles.
    ALDRICH        www.molbase.com    

    9 - Physical and Chemical Properties

    Appearance        Physical State: Liquid    
    Property        Value        At Temperature or Pressure    
    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    
    SG/Density        0,9430 g/cm3    
    Partition Coefficient Log Kow: - 0,356.
    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: Strong oxidizing agents.
    HAZARDOUS DECOMPOSITION PRODUCTS
    Hazardous Decomposition Products: Carbon monoxide, carbon dioxide,
    and nitrogen oxides.
    HAZARDOUS POLYMERIZATION
    Hazardous Polymerization: Will not occur

    11 - Toxicological Information

    RTECS NUMBER: CM8750000
    ROUTE OF EXPOSURE
    Skin Contact: Causes skin irritation.
    Skin Absorption: Harmful if absorbed through skin.
    Eye Contact: Causes eye irritation.
    Inhalation: Harmful if inhaled. Material is irritating to mucous
    membranes and upper respiratory tract.
    Ingestion: Toxic if swallowed.
    CHRONIC EXPOSURE - MUTAGEN
    Rat
    ALDRICH        www.molbase.com    
    20 MG/KG
    Intraperitoneal
    Cytogenetic analysis

    12 - Ecological Information

    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
    UN#: 3276
    Class: 6.1
    PG: III
    Proper Shipping Name: Nitriles, toxic, n.o.s.
    IMDG
    UN#: 3276
    Class: 6.1
    PG: III
    Proper Shipping Name: Nitriles, toxic, n.o.s.
    Marine Pollutant: No
    Severe Marine Pollutant: No
    Technical Name: Required
    IATA
    UN#: 3276
    Class: 6.1
    PG: III
    Proper Shipping Name: NITRILES, LIQUID, TOXIC, N.O.S.
    Inhalation Packing Group I: No
    Technical Name: Required

    15 - Regulatory Information

    CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
    INDICATION OF DANGER: T
    Toxic.
    R-PHRASES: 20/21-25-36/37/38
    Harmful by inhalation and in contact with skin. Toxic if
    swallowed. Irritating to eyes, respiratory system and skin.
    S-PHRASES: 26-36/37-45
    In case of contact with eyes, rinse immediately with plenty of
    water and seek medical advice. Wear suitable protective
    clothing and gloves. In case of accident or if you feel unwell,
    seek medical advice immediately (show the label where possible).
    Caution: Substance not yet fully tested (EU).

    16 - Other Information

    ALDRICH        www.molbase.com    
    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

1-氮丙啶丙腈 海关数据

中国海关编码:2933990090

概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-氮丙啶丙腈 分子结构与计算化学数据

分子结构数据

1、  摩尔折射率:26.66

2、  摩尔体积(cm3/mol):91.7

3、  等张比容(90.2K):236.3

4、  表面张力(dyne/cm):43.9

5、  极化率(10-24cm3):10.57

计算化学数据

1.疏水参数计算参考值(XlogP):-0.3

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:2

5.互变异构体数量:无

6.拓扑分子极性表面积26.8

7.重原子数量:7

8.表面电荷:0

9.复杂度:95.9

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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