4-Chloro-5-methoxy-2-methyl-2,3-dihydropyridazin-3-one

HCID 2774938

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 14628-57-0
표준 SMILES: COc1cnn(C)c(=O)c1Cl
InChIKey: OGHGGBMXRUJBAF-UHFFFAOYSA-N
분자식: C6H7ClN2O2
평균 분자량: 174.58 g/mol
단동위원소 질량: 174.01960514

이름 및 식별자

우선 이름: 4-Chloro-5-methoxy-2-methyl-2,3-dihydropyridazin-3-one
IUPAC: 4-chloro-5-methoxy-2-methylpyridazin-3-one
영어명: 4-CHLORO-5-METHOXY-2-METHYL-2,3-DIHYDROPYRIDAZIN-3-ONE
분자식: C6H7ClN2O2
분자량: 174.59

이름 및 동의어

4-chloro-5-methoxy-2-methyl-2,3-dihydropyridazin-3-oneRefChem:521470100-695-114628-57-04-Chloro-5-methoxy-2-methylpyridazin-3(2H)-one4-chloro-5-methoxy-2-methylpyridazin-3-one3(2H)-Pyridazinone, 4-chloro-5-methoxy-2-methyl-MFCD000678544-chloro-5-methoxy-2-methyl-2H-pyridazin-3-oneSCHEMBL466352DTXSID80379286OGHGGBMXRUJBAF-UHFFFAOYSA-N

이름 더 보기

4-chloro-5-methoxy-2-methylazine-3(2H)-one

SBB055929AKOS0062297755-chloro-4-methoxy-1-methyl-6-pyridazoneCS-03340554-chloro-5-methoxy-2-methyl-pyridazin-3-oneW113634-chloro-5-methoxy-2-methyl-3 (2H)-pyridazinone4-chloro-5-methoxy-2-methyl-3(2H)-pyridazinone

데이터베이스 식별자

CAS: 14628-57-0
PubChem CID: 2774938
DTXSID: DTXSID80379286
EC Number: 100-695-1
Nikkaji: J987.602B

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 41.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 247

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: 151 · 151-153°C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.