1-Amino-2-bromobenzene-3,4,5,6-d4

2-Bromoaniline

HCID 178954656CAS 1643564-99-1

子结构检索查找相似结构

基本信息

标准SMILES: Nc1ccccc1Br
InChIKey: AOPBDRUWRLBSDB-UHFFFAOYSA-N
分子式: C6H6BrN
平均分子量: 172.02 g/mol

名称与标识

首选名称: 2-Bromoaniline
IUPAC: 2-bromoaniline
中文名: 1-Amino-2-bromobenzene-3,4,5,6-d4
英文名: 1-Amino-2-bromobenzene-3,4,5,6-d4
分子式: C6H6BrN
分子量: 172.03

名称与别名

2-BROMOANILINE615-36-1o-BromoanilineBenzenamine, 2-bromo-Aniline, o-bromo-o-AminobromobenzeneVTP98DS78ENSC-7086DTXSID5060645RefChem:85845DTXCID0043054210-421-3

展开更多名称

2-溴苯-3,4,5,6-D4-胺2-Bromobenzen-3,4,5,6-d4-amine2-bromo(2H?)aniline1-Amino-2-bromobenzene-3,4,5,6-d4

2-bromobenzenamine2-bromo-aniline2-bromophenylamineMFCD00007632aniline, 2-bromo-2-bromioanilineo-bromo-aniline2-bromaniline

数据库标识

CAS: 1643564-99-1
UNII: VTP98DS78E
EC Number: 210-421-3
Nikkaji: J94.957D

性质

结构计算性质

XLogP: 2.1
极性表面积: 26 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 0
重原子: 8
形式电荷: 0
复杂度: 74.9

实验与物化性质

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP2.11

Vapor Pressure0.04 [mmHg]

Physical DescriptionBrown solid; mp = 27-32 deg C; [Alfa Aesar MSDS]

物理化学性质

InChI: InChI=1S/C6H6BrN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
InChIKey: AOPBDRUWRLBSDB-UHFFFAOYSA-N
SMILES: BrC1C([H])=C([H])C([H])=C([H])C=1N

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H302 (96.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P262, P264, P270, P273, P280, P301+P317, P302+P352, P316, P319, P321, P330, P361+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Regulatory Information · 3 条

Chemical: Benzenamine, 2-bromo-

Status: Active Update: 03-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/23361

2-Bromoaniline: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; May induce methemoglobinemia; Harmful by ingestion and inhalation; Toxic by skin absorption; Prolonged or repeated exposure may cause organ injury; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (96.2%)

毒理信息

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

化学与工业

用途与制造

General Manufacturing InformationBenzenamine, 2-bromo-: ACTIVE

供应商9 家

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

南京药石科技股份有限公司4000255188 · [email protected]

康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]

关联笔记

加载中…