3-ブロモベンジルアミン塩酸塩

3-Bromobenzylamine hydrochloride

HCID 2724980

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 39959-54-1
標準SMILES: Cl.NCc1cccc(Br)c1
InChIKey: UGEQUCUBWNAUJS-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: 3-Bromobenzylamine hydrochloride
IUPAC: (3-bromophenyl)methanamine;hydrochloride
現地名: 3-ブロモベンジルアミン塩酸塩
英語名: 3-Bromobenzylamine hydrochloride
分子式: C7H9BrClN
分子量: 222.51

名称と別名

3-Bromobenzylamine hydrochloride39959-54-1DTXSID10369312RefChem:277740DTXCID70320348628-205-6(3-bromophenyl)methanamine Hydrochloride3-Bromobenzylamine HCl3-Bromobenzyl amine HClMFCD00012856(3-bromophenyl)methanamine;hydrochloride3-Bromobenzylaminehydrochloride

名称をさらに表示

3-ブロモベンジルアミン塩酸塩M-ブロモベンジルアミン塩酸塩3-ブロモベンジルアミン・塩酸塩(3-bromophenyl)methylammoniumM-BROMOBENZYLAMINE HYDROCHLORIDE3-Bromobenzylaminehydrochloride98%3-Bromobenzylamine hydrochloride,99%3-Bromobenzylamine hydrochloride 98%3-Bromobenzylamine Hydrochloride >(3-BroMophenyl)MethanaMine hydrochloride(3-Bromophenyl)methylamine hydrochloride

EN300-60157Benzenemethanamine, 3-bromo-, hydrochloride(3-Bromophenyl)methanaminehydrochloride1-(3-bromophenyl)methanamine hydrochloride3-Bromo-benzylamine HCl saltCHEMBL13658SCHEMBL3029873-Bromo-benzylamine hydrochloride

データベース識別子

CAS: 39959-54-1
PubChem CID: 2724980
DTXSID: DTXSID10369312
ChEMBL: CHEMBL13658
EC Number: 628-205-6

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: 85

物理化学的性質

融点: 218 · 218-221 °C(lit.)
蒸気圧: 2 mm · 2 mm Hg ( 0 °C)
貯蔵温度: Inert atmosphere,Room Temperature
外見: powder to crystal
色: White to Almost white
BRN: 3913185 · 3913185
InChI: InChI=1S/C7H8BrN.ClH/c8-7-3-1-2-6(4-7)5-9;/h1-4H,5,9H2;1H
InChIKey: UGEQUCUBWNAUJS-UHFFFAOYSA-N
SMILES: C1(CN)=CC=CC(Br)=C1.Cl
CAS データベース: 39959 · 39959-54-1(CAS DataBase Reference)

化学的性質

化学的特性white to very slightly yellow crystlline 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.