4-Bromo-2-chloroaniline

HCID 610169CAS 38762-41-3

基本情報

標準SMILES: Nc1ccc(Br)cc1Cl
InChIKey: INMZDDDQLHKGPF-UHFFFAOYSA-N
分子式: C6H5BrClN
平均分子量: 206.47 g/mol
単同位体質量: 204.92938894

名称と識別子

優先名称: 4-Bromo-2-chloroaniline
IUPAC: 4-bromo-2-chloroaniline

名称と別名

4-Bromo-2-chloroaniline38762-41-32-Chloro-4-bromoanilineBenzenamine, 4-bromo-2-chloro-4-Bromo-2-chlorobenzenamineAniline, 4-bromo-2-chloro-RefChem:98062254-118-4EINECS 254-118-4InChI=1/C6H5BrClN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9HINMZDDDQLHKGPF-UHFFFAOYSA-N4-bromo-2-chloro-aniline

名称をさらに表示

4-bromo-2-chlorophenylamine4-Brom-2-chlor-anilinMFCD000076604-bromo-2-chlorophenylarnine4-Bromo-2-chloroaniline, 98%BBL035749STL087632CS-W020030

データベース識別子

CAS: 38762-41-3
PubChem CID: 610169
DTXSID: DTXSID401027990
UNII: MYG85XD8FA
EC Number: 254-118-4
Nikkaji: J236.146I

物性

構造計算による物性

XLogP: 3
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: 9
形式電荷: 0
複雑度: 99.1

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P262, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P316, P317, P319, P321, P330, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.