苯胺氢溴酸盐

苯胺氢溴酸盐 基本信息
CAS号 542-11-0 分子式 C6H8BrN
分子量 174.03800 精确质量  172.98400
PSA  26.02000 LogP  2.80810

基本信息 展开↓

CAS号:
542-11-0
3D弹球模型:
立即前往扯扯看
分子式:
C6H8BrN
分子量:
174.03800
中文名称:
苯胺氢溴酸盐
英文名称:
aniline,hydrobromide
中文别名:
苯胺氢溴酸盐;
Ethyl N-carbamoylglycinate;
Glycine, N-(aminocarbonyl)-, ethyl ester;
ethane-1,1-diyl diacetate;
ethylidene di(acetate);
3-oxopentanedioate;
1,3-Acetonedicarboxylic acid;
HSDB 5685;
Monochloroacetic acid anhydride;
NSC 71207;
Sym-dichloroacetic anhydride;
alpha,alpha'-Dichloroacetic anhydride;
Acetic acid, 2-chloro-, 1,1'-anhydride;
methyl 3-chloro-4-fluorobutanoate;
(2-chloroacetyl) 2-chloroacetate;
Chloroacetic anhydride;
Ethoxycarbonyl chloride;
Ethyl carbonochloridate;
Ethyl chlorocarbonate;
Ethyl chloromethanoate;
Ethylchloorformiaat;
Ethylchloorformiaat [Dutch];
Ethyle, chloroformiat d';
Ethyle, chloroformiat d' [French];
Ethylester kyseliny chlormravenci;
Ethylester kyseliny chlormravenci [Czech];
Etil clorocarbonato;
Etil clorocarbonato [Italian];
Etil cloroformiato;
Etil cloroformiato [Italian];
Formic acid, chloro-, ethyl ester;
HSDB 409;
TL 423;
Ethyl chloroformate [UN1182] [Poison];
UN1182;
Ethyl chloroformate;
3,6-Dihydroxyxanthene-9-spiro-1'-3'H-isobenzofuran-3'-one dipotassium salt;
3,6-Dihydroxyxanthene-9-spiro-1'-3'H-is
英文别名:
aniline,hydrobromide;
EINECS 208-801-9;
AC1L29J1;
AC1Q23L0;
Benzenamine,hydrobromide;
Anilin,Hydrobromid;
CTK1G8496;
phenylammonium bromide;
Anilinium bromide;
Benzenamine,hydrobromide (1:1)
精确分子量/精确质量:
172.98400
极性分子表面积/PSA:
26.02000
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:
208-801-9
InChI:
InChI=1/C6H7N.BrH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H

生产制备方法及用途展开↓

制备方法


有机合成。

用途简介


用途


 有机合成。  

物化性质展开↓

沸点:
184.4ºC at 760 mmHg
闪点:
70ºC
存储条件/存储方法:

  本品应密封避光保存。

稳定性相关:

常温常压下稳定
避免氧化物

其它信息:

1.       性状:白到微红色结晶粉末。见光或暴露在空气中色变深。

2.       密度(g/mL,25/4): 未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):286

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:未确定

8.       闪点(ºC):未确定

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(kPa,25ºC):未确定

12.    饱和蒸气压(kPa,60ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(KPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.    溶解性:溶于水和乙醇。

安全信息展开↓

海关代码:
2921419000

MSDS 展开↓

    Version 2.1
    Regulation (EC) No 1907/2006

    1 - Product and Company Information

    Product Name        ANILINE HYDROBROMIDE - 50 MG    

    2 - Hazards Identification

    SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
    Toxic by inhalation, in contact with skin and if swallowed.
    Limited evidence of a carcinogenic effect. Risk of serious damage
    to eyes. May cause sensitization by skin contact. Toxic: danger of
    serious damage to health by prolonged exposure through inhalation,
    in contact with skin and if swallowed. Possible risk of
    irreversible effects. Very toxic to aquatic organisms.
    Carc. Cat.3 Muta. Cat.3

    3 - Composition/Information on Ingredients

    Product Name        CAS #        EC no        Annex I    
    Index Number
    ANILINE HYDROBROMIDE        542-11-0 208-801-9 612-009-00-2    
    Formula        C6H7N    
    Molecular Weight 174,0400 AMU

    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
    Sweep up, place in a bag and hold for waste disposal. Avoid
    raising dust. Ventilate area and wash spill site after material
    pickup is complete.

    7 - Handling and Storage

    HANDLING
    Directions for Safe Handling: Do not breathe dust. Do not get in
    eyes, on skin, on clothing. Avoid prolonged or repeated exposure.
    STORAGE
    Conditions of Storage: Keep tightly closed.
    SPECIAL REQUIREMENTS: Light sensitive.

    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 particle respirator type N99 (US)
    or type P2 (EN 143) 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.
    ALDRICH        www.molbase.com    
    Eye Protection: Chemical safety goggles.

    9 - Physical and Chemical Properties

    Appearance        Physical State: Solid    
    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    
    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    
    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,
    Nitrogen oxides, Hydrogen bromide gas.
    HAZARDOUS POLYMERIZATION
    Hazardous Polymerization: Will not occur

    11 - Toxicological Information

    SENSITIZATION
    Sensitization: Sensitizer.
    Skin: May cause allergic skin reaction.
    ROUTE OF EXPOSURE
    Skin Contact: May cause skin irritation.
    Skin Absorption: Toxic if absorbed through skin.
    Eye Contact: Causes severe eye irritation.
    Inhalation: Material may be irritating to mucous membranes and
    upper respiratory tract. Toxic if inhaled.
    Ingestion: Toxic if swallowed.
    CHRONIC EXPOSURE - CARCINOGEN
    ALDRICH        www.molbase.com    
    Result: This product is or contains a component that has been
    reported to be possibly carcinogenic based on its IARC, ACGIH,
    NTP, or EPA classification.
    CHRONIC EXPOSURE - MUTAGEN
    Result: May alter genetic material.

    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#: 2811
    Class: 6.1
    PG: III
    Proper Shipping Name: Toxic solid, organic, n.o.s.
    IMDG
    UN#: 2811
    Class: 6.1
    PG: III
    Proper Shipping Name: Toxic solid, organic, n.o.s.
    Marine Pollutant: No
    Severe Marine Pollutant: No
    Technical Name: Required
    IATA
    UN#: 2811
    Class: 6.1
    PG: III
    Proper Shipping Name: Toxic solid, organic, n.o.s.
    Inhalation Packing Group I: No
    Technical Name: Required

    15 - Regulatory Information

    CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
    ANNEX I INDEX NUMBER: 612-009-00-2
    NOTA: A
    INDICATION OF DANGER: T-N
    Toxic. Dangerous for the environment.
    R-PHRASES: 23/24/25-40-41-43-48/23/24/25-68-50
    Toxic by inhalation, in contact with skin and if swallowed.
    Limited evidence of a carcinogenic effect. Risk of serious
    damage to eyes. May cause sensitization by skin contact. Toxic:
    danger of serious damage to health by prolonged exposure
    through inhalation, in contact with skin and if swallowed.
    Possible risk of irreversible effects. Very toxic to aquatic
    organisms.
    ALDRICH        www.molbase.com    
    S-PHRASES: 26-27-36/37/39-45-61-63
    In case of contact with eyes, rinse immediately with plenty of
    water and seek medical advice. Take off immediately all
    contaminated clothing. Wear suitable protective clothing,
    gloves, and eye/face protection. In case of accident or if you
    feel unwell, seek medical advice immediately (show the label
    where possible). Avoid release to the environment. Refer to
    special instructions/safety data sheets. In case of accident by
    inhalation: remove casualty to fresh air and keep at rest.
    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

海关数据查看详细

中国海关编码:2921419000

概述:
HS:2921419000 苯胺盐 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:
2921419000 aniline and its salts。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:1

3.氢键受体数量:1

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26

7.重原子数量:8

8.表面电荷:0

9.复杂度:46.1

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:2

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