4-Bromobenzylamine hydrochloride

HCID 2724096

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 26177-44-6
표준 SMILES: Cl.NCc1ccc(Br)cc1
InChIKey: BVYUYDBWQMSOKM-UHFFFAOYSA-N
분자식: C7H9BrClN
평균 분자량: 222.51 g/mol
단동위원소 질량: 220.96068907

이름 및 식별자

우선 이름: 4-Bromobenzylamine hydrochloride
IUPAC: (4-bromophenyl)methanamine;hydrochloride
영어명: 4-Bromobenzylamine hydrochloride
분자식: C7H9BrClN
분자량: 222.51

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

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: 77

물리화학적 성질

녹는점: 274 · 274-276 °C(lit.)
굴절률: 1 · 1,5855-1,5875
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
수용성: 물에 용해됩니다.
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

화학적 성질

OFF-WHITE TO BEIGE CRYSTALLINE 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 58 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

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%)

안전 데이터

wgk: 3
HS 번호: 29214900
risk_code: 36/37/38-21/22
hazard_code: Xi,Xn
safety_code: 26-37/39-36/37/39-36
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도4-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.