3-Bromobenzylamine hydrochloride

HCID 2724980CAS 39959-54-1

기본 정보

표준 SMILES: Cl.NCc1cccc(Br)c1
InChIKey: UGEQUCUBWNAUJS-UHFFFAOYSA-N
분자식: C7H9BrClN
평균 분자량: 222.51 g/mol
단동위원소 질량: 220.96068907

이름 및 식별자

우선 이름: 3-Bromobenzylamine hydrochloride
IUPAC: (3-bromophenyl)methanamine;hydrochloride
영어명: 3-Bromobenzylamine hydrochloride
분자식: C7H9BrClN
분자량: 222.51

이름 및 동의어

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

이름 더 보기

(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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 26 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 85

물리화학적 성질

녹는점: 218 · 218-221 °C(lit.)
증기압: 2 mm · 2 mm Hg ( 0 °C)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
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

화학적 성질

white to very slightly yellow crystlline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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.