3-Amino-4-bromo-6-chloropyridazine

HCID 22024419CAS 446273-59-2

기본 정보

표준 SMILES: Nc1nnc(Cl)cc1Br
InChIKey: FGOWNGCSUSKHQI-UHFFFAOYSA-N
분자식: C4H3BrClN3
평균 분자량: 208.44 g/mol
단동위원소 질량: 206.91988688

이름 및 식별자

우선 이름: 3-Amino-4-bromo-6-chloropyridazine
IUPAC: 4-bromo-6-chloropyridazin-3-amine
영어명: 3-Amino-4-bromo-6-chloropyridazine
분자식: C4H3BrClN3
분자량: 208.44

이름 및 동의어

3-AMINO-4-BROMO-6-CHLOROPYRIDAZINERefChem:497234801-508-2446273-59-24-bromo-6-chloropyridazin-3-amine4-bromo-6-chloro-3-pyridazinamineMFCD115208913-Pyridazinamine, 4-bromo-6-chloro-AKOS015854729GS-4400SY007243EN300-106927

이름 더 보기

3-Amino-4-bromo-6-chL3-AMino-4-broMo-6-chlorop...3-PyridazinaMine,4-broMo-6-chloro-4-bromo-6-chloro-3-pyridazineamine3-Amino-4-bromo-6-chloropyridazine 98%3-Amino-4-bromo-6-chloropyridazine ISO 9001：2015 REACH

3-Amino-4-bromo-6-chloropyridazine, AldrichCPR4-bromo-6-chloro-pyridazin-3-amine4-Bromo-6-chl4-BROMO-6-CHLORO-PYRIDAZIN-3-YLAMINE98JHP7DVK5A826645SCHEMBL710187SCHEMBL20373111

데이터베이스 식별자

CAS: 446273-59-2
PubChem CID: 22024419
DTXSID: DTXSID50621663
UNII: 98JHP7DVK5
EC Number: 801-508-2
Nikkaji: J3.586.538A

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 102

물리화학적 성질

끓는 점: 385.4 · 385.4±37.0 °C(Predicted)
밀도: 1.96 · 1.960
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 1.93 · 1.93±0.10(Predicted)
물리적 상태: 가루
색상: 밝은 갈색에서 갈색까지
InChI: InChI=1S/C4H3BrClN3/c5-2-1-3(6)8-9-4(2)7/h1H,(H2,7,9)
InChIKey: FGOWNGCSUSKHQI-UHFFFAOYSA-N
SMILES: C1(N)=NN=C(Cl)C=C1Br

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301+H311+H331 (16.7%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.