4,6-디클로로-3-메틸피리다진

4,6-디클로로-3-메틸피리다진 · 3,5-Dichloro-6-methylpyridazine · 4,6-dichloro-3-Methylpyridazine · Pyridazine, 4,6-dichloro-3-methyl-

식별자 및 물리적 특성

CAS No.	68240-43-7
분자식	C5H4Cl2N2
평균 분자량	163 g/mol
단동위원소 질량	161.97515349 g/mol
SMILES	Cc1nnc(Cl)cc1Cl
InChIKey	SWLRTVHQASOVRZ-UHFFFAOYSA-N
PubChem CID	58717049
EC No.	807-544-5
DTXSID	DTXSID50729739
현지명	4,6-디클로로-3-메틸피리다진

XLogP	1.8
극성 표면적	25.8
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	9
형식 전하	0
복잡도	99
끓는 점	295.1±35.0 °C(Predicted)
밀도	1.404±0.06 g/cm3(Predicted)
저장 조건	under inert gas (nitrogen or Argon) at 2-8°C
pKa(산도 계수)	0.02±0.10(Predicted)
InChI	InChI=1S/C5H4Cl2N2/c1-3-4(6)2-5(7)9-8-3/h2H,1H3
InChIKey	SWLRTVHQASOVRZ-UHFFFAOYSA-N
SMILES	C1(C)=NN=C(Cl)C=C1Cl

GHS 분류	DangerH302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (80%)
관세 코드	2933998090

4,6-Dichloro-3-methylpyridazine is a reagent in the preparation of URAT1 inhibitors which are used in the treatment of uric acid related disorders.