4-Bromo-2-ethylaniline

HCID 2801283CAS 45762-41-2

기본 정보

표준 SMILES: CCc1cc(Br)ccc1N
InChIKey: LGOZNQPHTIGMQJ-UHFFFAOYSA-N
분자식: C8H10BrN
평균 분자량: 200.08 g/mol
단동위원소 질량: 198.99966142

이름 및 식별자

우선 이름: 4-Bromo-2-ethylaniline
IUPAC: 4-bromo-2-ethylaniline
영어명: 4-Bromo-2-ethylaniline
분자식: C8H10BrN
분자량: 200.08

이름 및 동의어

4-Bromo-2-ethylaniline45762-41-2DTXSID30384229RefChem:519651DTXCID50335253610-270-7MFCD000414342-Ethyl-4-bromoaniline4-Bromo-2-ethyl-anilineBenzenamine, 4-bromo-2-ethyl-EN300-1095834-bromo-2-ethylbenzenamine

이름 더 보기

4-Bromo-2-ethylaniline 96%4-BROMO-2-ETHYLANILINE: TECH.Aniline, 4-broMo-2-ethyl- (7CI)4-BROMO-2-ETHYLANILINE ISO 9001：2015 REACH

4-bromo-2-ethylphenylamineSCHEMBL3825884-Bromo-2-ethylaniline, 96%BDBM625978CS-M2231CK1159AKOS002673925SB77801

데이터베이스 식별자

CAS: 45762-41-2
PubChem CID: 2801283
DTXSID: DTXSID30384229
EC Number: 610-270-7
Nikkaji: J578.823D

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 105

물리화학적 성질

끓는 점: 110 · 110-112°C 2mm
밀도: 1.412 g/mL · 1.412 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.597(lit.)
인화점: 114 °F · 114 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 3.66 · 3.66±0.10(Predicted)
BRN: 2802710 · 2802710
InChI: 1S/C8H10BrN/c1-2-6-5-7(9)3-4-8(6)10/h3-5H,2,10H2,1H3
InChIKey: LGOZNQPHTIGMQJ-UHFFFAOYSA-N
SMILES: CCc1cc(Br)ccc1N

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (91.5%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.