2-Bromoaniline

HCID 178954656

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基本情報

CAS: 1643564-99-1
標準SMILES: Nc1ccccc1Br
InChIKey: AOPBDRUWRLBSDB-UHFFFAOYSA-N
分子式: C6H6BrN
平均分子量: 172.02 g/mol

名称と識別子

優先名称: 2-Bromoaniline
IUPAC: 2-bromoaniline
英語名: 1-Amino-2-bromobenzene-3,4,5,6-d4
分子式: C6H6BrN
分子量: 172.03

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.1
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 74.9

実験および物理化学的性質

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]

物理化学的性質

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

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 3 件

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%)

毒性情報

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

化学と産業

用途と製造

General Manufacturing InformationBenzenamine, 2-bromo-: ACTIVE

サプライヤー9 社

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]

化合物ノート

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