CAS 55694-81-0 1-Methyl-1H-imidazole-2-sulfonyl chloride (HCID 11658383)

기본 정보

CAS: 55694-81-0
표준 SMILES: Cn1ccnc1S(=O)(=O)Cl
InChIKey: VIGPKJYEYGGCLK-UHFFFAOYSA-N
분자식: C4H5ClN2O2S
평균 분자량: 180.61 g/mol
단동위원소 질량: 179.9760263

이름 및 식별자

우선 이름: 1-Methyl-1H-imidazole-2-sulfonyl chloride
IUPAC: 1-methylimidazole-2-sulfonyl chloride
현지명: 1-메틸-1H-이미다졸-2-설포닐클로라이드
영어명: 1-Methyl-1H-iMidazole-2-sulfonyl chloride
분자식: C4H5ClN2O2S
분자량: 180.61

이름 및 동의어

1-Methyl-1H-imidazole-2-sulfonyl chloride55694-81-0DTXSID20470140RefChem:433830DTXCID70420958687-027-71-methylimidazole-2-sulfonyl ChlorideMFCD166214501H-Imidazole-2-sulfonyl chloride, 1-methyl-SCHEMBL6040821-methylimidazole sulphonylchlorideAS-49402

이름 더 보기

1-메틸-1H-이미다졸-2-설포닐클로라이드1-Methyl-1H-iMidazole-2-sulfonyl2-Chlorosulfonyl-1-methylimidazole1-Methylimidazole-2-sulphonyl chloride1-Methyl-1H-imidazol-2-sulfonyl chloride1-MethyliMidazole-2-sulfonyl chloride 95%

I10058F1905-0062VIGPKJYEYGGCLK-UHFFFAOYSA-NBBL102127AKOS0159994981-Methylimidazole-2-sulfonyl chloride,AB714081-Methyl-1H-imidazole-2-sulfonylchloride

데이터베이스 식별자

CAS: 55694-81-0
PubChem CID: 11658383
DTXSID: DTXSID20470140
EC Number: 687-027-7
Nikkaji: J900.267G

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: 66 · 66-71℃
저장 조건: 2 · 2-8°C
물리적 상태: solid
InChI: 1S/C4H5ClN2O2S/c1-7-3-2-6-4(7)10(5,8)9/h2-3H,1H3
InChIKey: VIGPKJYEYGGCLK-UHFFFAOYSA-N
SMILES: Cn1ccnc1S(Cl)(=O)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P233, P260, P264, P271, P280, P284, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P342+P316, P363, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.