CAS 6911-87-1 Benzenamine, 4-bromo-N-methyl- (HCID 2757052)

基本情報

CAS: 6911-87-1
標準SMILES: CNc1ccc(Br)cc1
InChIKey: AYVPVDWQZAAZCM-UHFFFAOYSA-N
分子式: C7H8BrN
平均分子量: 186.05 g/mol
単同位体質量: 184.98401136

名称と識別子

優先名称: Benzenamine, 4-bromo-N-methyl-
IUPAC: 4-bromo-N-methylaniline
現地名: 4-ブロモ-N-メチルアニリン
英語名: 4-Bromo-N-methylaniline
分子式: C7H8BrN
分子量: 186.05

名称と別名

4-Bromo-N-methylaniline6911-87-1Benzenamine, 4-bromo-N-methyl-4-Bromo-N-methylbenzenamineDTXSID00219170RefChem:561878DTXCID20141661627-547-3211060-12-7MFCD03030391N-methyl-4-bromoanilinep-Brom-N-methylanilin

名称をさらに表示

4-ブロモ-N-メチルアニリン4‐ブロモ‐N‐メチルアニリン(4-ブロモフェニル)メチルアミンP-ブロモ-N-メチルアニリン4-Bromo-N-methyL4-BROMO-N-TOLUIDINEp-Bromo-N-methylanilineN-Bromo-N-methylaniline(4-Bromophenyl)methylamine4-Bromo-N-methylaniline,97%4-BroMo-N-Methylaniline 97%Benzenamine,4-bromo-N-methyl-

SCHEMBL4671574-Bromo-N-methylaniline, 97%Benzenamine, 4-bromo-N-methyl-, radical ion(1+) (9CI)B44034-Bromo-N-methylbenzenamine; N-Methyl-4-bromoaniline; N-Methyl-p-bromoaniline;4bromo-n-methylaniline4-bromo-N-methyl-anil4-bromo-N-methyl-aniline

データベース識別子

CAS: 6911-87-1
PubChem CID: 2757052
DTXSID: DTXSID00219170
EC Number: 627-547-3
Nikkaji: J748.108J

物性

構造計算による物性

XLogP: 2.9
極性表面積: 12 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: 1
重原子数: 9
形式電荷: 0
複雑度: 77

実験および物理化学的性質

SpringerMaterials PropertiesDensity

物理化学的性質

融点: 20 · 20-25°C
沸点: 259 · 259-260 °C (lit.)
比重(密度): 1.482 g/mL · 1.482 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.613(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · Keep in dark place,Inert atmosphere,2-8°C
溶解性: soluble in Chloroform, Ethyl Acetate
外見: 液体
酸解離定数(Pka): 3.89 · 3.89±0.12(Predicted)
色: 無色～暗紫褐色
InChI: InChI=1S/C7H8BrN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChIKey: AYVPVDWQZAAZCM-UHFFFAOYSA-N
SMILES: C1(NC)=CC=C(Br)C=C1

化学的性質

化学的特性colorless to dark purple-brown liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 71 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.