CAS 18349-09-2 Benzenamine, 2-bromo-6-fluoro-4-methyl- (HCID 26598247)

기본 정보

CAS: 18349-09-2
표준 SMILES: Cc1cc(F)c(N)c(Br)c1
InChIKey: QVECFWRRZNGQDO-UHFFFAOYSA-N
분자식: C7H7BrFN
평균 분자량: 204.04 g/mol
단동위원소 질량: 202.97458954

이름 및 식별자

우선 이름: Benzenamine, 2-bromo-6-fluoro-4-methyl-
IUPAC: 2-bromo-6-fluoro-4-methylaniline
현지명: 2-브로모-6-플루오로-4-메탄올린
영어명: 2-BROMO-6-FLUORO-4-METHYLANILINE
분자식: C7H7BrFN
분자량: 204.04

이름 및 동의어

Benzenamine, 2-bromo-6-fluoro-4-methyl-2-Bromo-6-fluoro-4-methylbenzenamineRefChem:561678605-996-62-Bromo-6-fluoro-4-methylaniline18349-09-2MFCD07780634DTXSID406502202-bromo-6-fluoro-4-methyl-anilineAKOS017559131AS-38926CS-0448704

이름 더 보기

2-브로모-6-플루오로-4-메탄올린2-bromo-6-fluoro-4-methylbenzeneamine2-Bromo-6-fluoro-4-methyl-phenylamine2-bromo-6-fluoro-4-methylaniline - [AC78024]

FT-0768388A812784SCHEMBL13945201-[(3,3-dimethyl-3-silabutoxy)methyl]-5-(hydroxymethyl)pyrrole-2-carboxylicacidSY239447DB-065447F035065

데이터베이스 식별자

CAS: 18349-09-2
PubChem CID: 26598247
DTXSID: DTXSID40650220
EC Number: 605-996-6

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 120

물리화학적 성질

끓는 점: 231.6 · 231.6±35.0 °C(Predicted)
밀도: 1.589 · 1.589±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 1.58 · 1.58±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.