溴苯乙腈

溴苯乙腈 基本信息
CAS号 5798-79-8 分子式 C8H6BrN
分子量 196.04674 精确质量  194.96836
PSA  23.79000 LogP  2.64618

基本信息 展开↓

CAS号:
5798-79-8
3D弹球模型:
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分子式:
C8H6BrN
分子量:
196.04674
中文名称:
溴苯乙腈
英文名称:
Benzeneacetonitrile, α-bromo-
中文别名:
溴苯乙腈;
2-溴-2-苯基乙腈;
溴苄基氰
英文别名:
Benzeneacetonitrile, α-bromo-;
Acetonitrile, bromophenyl- (6CI,8CI);
α-Bromobenzeneacetonitrile;
2-Bromo-2-phenylacetonitrile;
BBC;
Camite;
α-Bromo-α-tolunitrile;
α-Bromobenzyl cyanide;
α-Bromobenzylnitrile;
α-Bromophenylacetonitrile
精确分子量/精确质量:
194.96836
极性分子表面积/PSA:
23.79000
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。
EINECS:
227-348-8
InChI:
The Key: XUHFBOUSHUEAQZ-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法


用甲苯先经氯化生成氯苄,后者在醇溶液中与氰化钠反应得苯乙腈,再在光催化下气相溴化制得该品。

用途简介


美散痛(美沙酮)的中间体,为军事毒气(催泪瓦斯)。

物化性质展开↓

密度:
1.513g/cm3
熔点:
29ºC
沸点:
228ºC at 760 mmHg
闪点:
91.7ºC
折射率:
1.585
存储条件/存储方法:
库房通风低温干燥,与氧化剂,酸类,食品分开储运

安全信息展开↓

包装等级:
I
风险类别:
6.1(a)
海关代码:
2926909090

合成路线查看所有的合成路线

  • 140-29-4

    氰化苄

  • ~84%

  • 5798-79-8

    溴苯乙腈

  • 532-28-5

    扁桃腈

  • ~59%

  • 5798-79-8

    溴苯乙腈

  • 506-68-3

    溴化氰

  • +

  • 141-52-6

    乙醇钠

  • +

  • 140-29-4

    氰化苄

  • 5798-79-8

    溴苯乙腈

  • +

  • 4591-16-6

    (E)-2,3-diphenylbut-2-enedinitrile

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AL8050000
CHEMICAL NAME :
Acetonitrile, bromophenyl-
CAS REGISTRY NUMBER :
5798-79-8
BEILSTEIN REFERENCE NO. :
1862309
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H6-Br-N
MOLECULAR WEIGHT :
196.06
WISWESSER LINE NOTATION :
NCYER

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
REFERENCE :
NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,32,1953
TYPE OF TEST :
LC - Lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1160 mg/m3/10M
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NDRC** National Defense Research Committee, Office of Scientific Research and Development, Progress Report. Volume(issue)/page/year: NDCrc-132,Aug,1942

MSDS 展开↓

  Material Safety Data Sheet

Section 1. Identification of the substance
    Product Name:      Bromobenzyl cyanide    
    Synonyms:

Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
    Ingredient name:        Bromobenzyl cyanide    
    CAS number:        5798-79-8    

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    

Section 5. Fire fighting measures
    In the event of a fire involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly qualified    
    in the handling and use of potentially hazardous chemicals, who should take into account the fire,
    health and chemical hazard data given on this sheet.
    Store in closed vessels, refrigerated.
    Storage:

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not specified    
    Boiling point:        No data    
    No data
    Melting point:
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C8H6BrN    
    Molecular weight:        196.0    

Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen bromide.

Section 11. Toxicological information
    No data.

Section 12. Ecological information
    No data.

Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
    Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2926909090

概述:
2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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