CAS 944401-56-3 5-Bromo-4-(trifluoromethyl)pyridin-2-amine (HCID 28875348)

기본 정보

CAS: 944401-56-3
표준 SMILES: Nc1cc(C(F)(F)F)c(Br)cn1
InChIKey: AEWYLVDLWQPJGW-UHFFFAOYSA-N
분자식: C6H4BrF3N2
평균 분자량: 241.01 g/mol
단동위원소 질량: 239.95099489

이름 및 식별자

우선 이름: 5-Bromo-4-(trifluoromethyl)pyridin-2-amine
IUPAC: 5-bromo-4-(trifluoromethyl)pyridin-2-amine
현지명: 2-아미노-5-브로모-4-트리플루오로메틸피리딘
영어명: 2-AMINO-5-BROMO-4-TRIFLUOROMETHYLPYRIDINE
분자식: C6H4BrF3N2
분자량: 241.01

이름 및 동의어

944401-56-35-bromo-4-(trifluoromethyl)pyridin-2-amineDTXSID80651731RefChem:533631DTXCID40602481693-695-02-Amino-5-bromo-4-(trifluoromethyl)pyridineMFCD098648965-bromo-4-(trifluoromethyl)-2-pyridylamine2-AMINO-5-BROMO-4-TRIFLUOROMETHYLPYRIDINESCHEMBL857498SCHEMBL29528816

이름 더 보기

2-아미노-5-브로모-4-트리플루오로메틸피리딘5-BroMo-4-trifluoroMethyl-pyridin-2-ylaMine2-Amino-5-bromo-4-(trifL5-Bromo-2-amino-4-trifluoromethylpyridine5-Bromo-4-(trifluoromethyl)-2-pyridinamine2-Amino-4-(trifluoromethyl)-5-bromopyridine2-Pyridinamine, 5-bromo-4-(trifluoromethyl)-2-Amino-5-bromo-4-(trifluoromethyl)pyridine,95%2-Amino-5-bromo-4-(trifluoromethyl)pyridine（RM for Indian lab)

CS-M0294FD2103SBB051921AKOS005063346EG-0018SB18622SY0134352-amino-4-trifluoromethyl-5-bromopyridine

데이터베이스 식별자

CAS: 944401-56-3
PubChem CID: 28875348
DTXSID: DTXSID80651731
EC Number: 693-695-0

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 161

물리화학적 성질

녹는점: 71 · 71-74℃
끓는 점: 243.9 · 243.9±40.0 °C(Predicted)
밀도: 1.79 · 1.790±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: 메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 2.44 · 2.44±0.24(Predicted)
색상: 연한 노란색에서 주황색까지
InChI: InChI=1S/C6H4BrF3N2/c7-4-2-12-5(11)1-3(4)6(8,9)10/h1-2H,(H2,11,12)
InChIKey: AEWYLVDLWQPJGW-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(Br)C(C(F)(F)F)=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.