1-메틸-1H-이미다졸-4-설포닐클로라이드

1-methyl-1H-imidazole-4-sulfonyl chloride

HCID 2736887CAS 137049-00-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cn1cnc(S(=O)(=O)Cl)c1
InChIKey: KXUGUWTUFUWYRS-UHFFFAOYSA-N
분자식: C4H5ClN2O2S
평균 분자량: 180.61 g/mol
단동위원소 질량: 179.97602608

이름 및 식별자

우선 이름: 1-methyl-1H-imidazole-4-sulfonyl chloride
IUPAC: 1-methylimidazole-4-sulfonyl chloride
현지명: 1-메틸-1H-이미다졸-4-설포닐클로라이드
영어명: 1-Methyl-1H-imidazole-4-sulfonyl chloride
분자식: C4H5ClN2O2S
분자량: 180.61

이름 및 동의어

1-methyl-1H-imidazole-4-sulfonyl chloride137049-00-4DTXSID30371679RefChem:231486DTXCID40322713673-082-41-methylimidazole-4-sulfonyl Chloride1h-imidazole-4-sulfonyl chloride, 1-methyl-1-methyl-1h-imidazole-4-sulphonyl chlorideMFCD00068060chloro(1-methylimidazol-4-yl)sulfonebuttpark 27\06-11

이름 더 보기

1-메틸-1H-이미다졸-4-설포닐클로라이드1-Methyl-1H-iMidazol-4-sulfonyl chloride1-Methylimidazole-4-sulfonylchloride,95%

1-methylimidazole-4-sulfonylchloride1-Methylimidazole-4-sulphonyl chloride1h-imidazole-4-sulfonylchloride,1-methyl-4-(Chlorosulphonyl)-1-methyl-1H-imidazole1h-imidazole-4-sulfonylchloride,1-methyl-(9ci)1-methyl-1h-imidazole-4-sulfonyl chloride, 95+%SCHEMBL212457KXUGUWTUFUWYRS-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 137049-00-4
PubChem CID: 2736887
DTXSID: DTXSID30371679
EC Number: 673-082-4

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 60.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 210

물리화학적 성질

녹는점: 88 · 88-91°C
끓는 점: 366.9 · 366.9±15.0 °C(Predicted)
밀도: 1.6 · 1.60±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
용해도: DMSO (약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 0.18 · 0.18±0.70(Predicted)
색상: 흰색에서 황백색까지
안정성: 수분에 민감한
InChI: 1S/C4H5ClN2O2S/c1-7-2-4(6-3-7)10(5,8)9/h2-3H,1H3
InChIKey: KXUGUWTUFUWYRS-UHFFFAOYSA-N
SMILES: Cn1cnc(c1)S(Cl)(=O)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.