3-Bromo-N-methylaniline

HCID 7018299CAS 66584-32-5

기본 정보

표준 SMILES: CNc1cccc(Br)c1
InChIKey: HKOSFZXROYRVJT-UHFFFAOYSA-N
분자식: C7H8BrN
평균 분자량: 186.05 g/mol
단동위원소 질량: 184.98401136

이름 및 식별자

우선 이름: 3-Bromo-N-methylaniline
IUPAC: 3-bromo-N-methylaniline
영어명: 3-Bromo-N-methylaniline
분자식: C7H8BrN
분자량: 186.05

이름 및 동의어

3-Bromo-N-methylaniline66584-32-5DTXSID80426986RefChem:499276DTXCID00377820613-950-1MFCD05664376Benzenamine, 3-bromo-N-methyl-n-methyl-3-bromoaniline3-bromo-N-methyl aniline3-bromo-N-methyl-aniline(3-bromophenyl)-methylamine

이름 더 보기

3-BROMO-N-TOLUIDINEm-Bromo-N-methylaniline3-BroMo-N-Methylaniline 97%3-Bromo-N-methylaniline,98%N-(3-broMophenyl)-N-MethylaMine3-Bromo-N-methylaniline3-Bromo-N-toluidine

(3-bromo-phenyl)-methyl-amineSCHEMBL1547919SCHEMBL2085402SCHEMBL3757352SCHEMBL3769992SCHEMBL46001583-Bromo-N-methylaniline, 97%SCHEMBL29909448

데이터베이스 식별자

CAS: 66584-32-5
PubChem CID: 7018299
DTXSID: DTXSID80426986
EC Number: 613-950-1
Nikkaji: J1.052.983B

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 85

물리화학적 성질

끓는 점: 253 °C · 253 °C (lit.)
밀도: 1.461 g/mL · 1.461 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.6120(lit.)
인화점: 235 °F · >235 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 액체
산도 계수 (pKa): 4.01 · 4.01±0.25(Predicted)
색상: 무색~황색
InChI: 1S/C7H8BrN/c1-9-7-4-2-3-6(8)5-7/h2-5,9H,1H3
InChIKey: HKOSFZXROYRVJT-UHFFFAOYSA-N
SMILES: CNc1cccc(Br)c1

화학적 성질

Clear yellow to brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.