CAS 26177-44-6 4-Bromobenzylamine hydrochloride (HCID 2724096)

基本情報

CAS: 26177-44-6
標準SMILES: Cl.NCc1ccc(Br)cc1
InChIKey: BVYUYDBWQMSOKM-UHFFFAOYSA-N
分子式: C7H9BrClN
平均分子量: 222.51 g/mol
単同位体質量: 220.96068907

名称と識別子

優先名称: 4-Bromobenzylamine hydrochloride
IUPAC: (4-bromophenyl)methanamine;hydrochloride
現地名: 4-ブロモベンジルアミン塩酸塩
英語名: 4-Bromobenzylamine hydrochloride
分子式: C7H9BrClN
分子量: 222.51

名称と別名

4-Bromobenzylamine hydrochloride26177-44-64-Bromobenzylamine HClEINECS 247-503-3DTXSID20180797RefChem:98185DTXCID60103288247-503-3(4-bromophenyl)methanamine hydrochlorideMFCD000128604-bromo-benzylamine hydrochloride4-Bromobenzyl amine HCl

名称をさらに表示

4-ブロモベンジルアミン塩酸塩4ブロモベンジルアミン塩酸塩4-ブロモベンジルアミン塩酸塩p-ブロモベンジルアミン・塩酸塩4-ブロモベンジルアミン・塩酸塩4-ブロモベンゼンメタンアミン・塩酸塩4-BBA X HCLp-Bromo Benzylamine Hcl4-Bromobenzylamine Hydrochloride >4-Bromobenzylamine hydrochloride,98%4-BROMOBENZYLAMINE HYDROCHLORIDE 98%4-Bromobenzylamine hydrochloride 99+%(4-Bromophenyl)methamine hydrochloride

Benzenemethanamine, 4-bromo-, hydrochloride (1:1)Benzenemethanamine, 4-bromo-, hydrochlorideP-BROMOBENZYLAMINE HYDROCHLORIDE(4-bromophenyl)methanamine;hydrochloride(4-bromophenyl)methanaminium chloride(4-bromophenyl)methanaminehydrochlorideCS-W0131111-(4-bromophenyl)methanamine hydrochloride

データベース識別子

CAS: 26177-44-6
PubChem CID: 2724096
DTXSID: DTXSID20180797
UNII: CAM3KDR8MT
EC Number: 247-503-3

物性

構造計算による物性

極性表面積: 26 Å²
水素結合供与体数: 2
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 77

物理化学的性質

融点: 274 · 274-276 °C(lit.)
屈折率: 1 · 1,5855-1,5875
貯蔵温度: Inert atmosphere,Room Temperature
外見: powder to crystal
色: White to Almost white
水溶解度: 水に溶ける。
BRN: 3693458 · 3693458
InChI: InChI=1S/C7H8BrN.ClH/c8-7-3-1-6(5-9)2-4-7;/h1-4H,5,9H2;1H
InChIKey: BVYUYDBWQMSOKM-UHFFFAOYSA-N
SMILES: C1(CN)=CC=C(Br)C=C1.Cl
CAS データベース: 26177 · 26177-44-6(CAS DataBase Reference)

化学的性質

化学的特性OFF-WHITE TO BEIGE CRYSTALLINE POWDER

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 58 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationBenzenemethanamine, 4-bromo-, hydrochloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29214900
risk_code: 36/37/38-21/22
化審法: (3)-316
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-37/39-36/37/39-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用4-Bromobenzylamine hydrochloride is used to study the characteristics of C-terminal polyamine modification in the presence of protease and amine. Further, it is used to prepare 1-(4-Brombenzyl)-pyrrole by reacting with 2,5-dimethoxy-tetrahydro-furan.