CAS 38186-83-3 5-Amino-2-bromo-3-methylpyridine (HCID 12362446)

기본 정보

CAS: 38186-83-3
표준 SMILES: Cc1cc(N)cnc1Br
InChIKey: IEONGQZSAUAAKH-UHFFFAOYSA-N
분자식: C6H7BrN2
평균 분자량: 187.04 g/mol
단동위원소 질량: 185.97926032

이름 및 식별자

우선 이름: 5-Amino-2-bromo-3-methylpyridine
IUPAC: 6-bromo-5-methylpyridin-3-amine
영어명: 5-Amino-2-bromo-3-methylpyridine
분자식: C6H7BrN2
분자량: 187.04

이름 및 동의어

5-Amino-2-bromo-3-methylpyridineRefChem:532140833-076-65-Amino-2-bromo-3-picoline38186-83-36-bromo-5-methylpyridin-3-amine3-Pyridinamine, 6-bromo-5-methyl-MFCD030950852-bromo-5-amino-3-methylpyridineSCHEMBL2407304CS-D0970AKOS005257957

이름 더 보기

5-Amino-2-bromo-3-methyL5-AMINO-2-BROMO-3-PYRIDINE2-BROMO-5-AMINO-3-PICOLINE6-Bromo-5-methyl-3-pyridinamine2-bromo-3-methyl-5-aminopyridine6-bromo-5-methylpyridine-3-amine3-Amino-6-bromo-5-methylpyridine

DS-0481SB40595EN300-1319294-(CyclopentylaminoSCHEMBL29435694DTXSID00494243BDBM6260166-bromo-5-methyl-pyridin-3-amine

데이터베이스 식별자

CAS: 38186-83-3
PubChem CID: 12362446
DTXSID: DTXSID00494243
EC Number: 833-076-6

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 97.1

물리화학적 성질

녹는점: 97 · 97-100℃
끓는 점: 305 · 305.0±37.0 °C(Predicted)
밀도: 1.593 · 1.593±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 2.02 · 2.02±0.20(Predicted)
물리적 상태: 고체
색상: 회색
InChI: InChI=1S/C6H7BrN2/c1-4-2-5(8)3-9-6(4)7/h2-3H,8H2,1H3
InChIKey: IEONGQZSAUAAKH-UHFFFAOYSA-N
SMILES: C1=NC(Br)=C(C)C=C1N

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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.