1,2-디메틸-1H-이미다졸-4-설포닐클로라이드

1,2-Dimethylimidazole-4-sulfonyl chloride

HCID 2736256CAS 137049-02-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1nc(S(=O)(=O)Cl)cn1C
InChIKey: JPAFTHVNSBWVQJ-UHFFFAOYSA-N
분자식: C5H7ClN2O2S
평균 분자량: 194.64 g/mol
단동위원소 질량: 193.99167614

개요

structure in first source

이름 및 식별자

우선 이름: 1,2-Dimethylimidazole-4-sulfonyl chloride
IUPAC: 1,2-dimethylimidazole-4-sulfonyl chloride
현지명: 1,2-디메틸-1H-이미다졸-4-설포닐클로라이드
영어명: 1,2-DIMETHYL-1H-IMIDAZOLE-4-SULFONYL CHLORIDE
분자식: C5H7ClN2O2S
분자량: 194.64

이름 및 동의어

1,2-dimethylimidazole-4-sulfonyl ChlorideRefChem:71969137049-02-61,2-dimethyl-1H-imidazole-4-sulfonyl chlorideMFCD013137801,2-Dimethyl-1H-imidazole-4-sulfonylchloride1H-Imidazole-4-sulfonyl chloride, 1,2-dimethyl-1,2-dimethylimidazole-4-sulphonylchloride1,2-dimethylimidazole-4-sulphonyl chloride1,2-dimethyl-1H-imidazol-4-sulfonyl chloride1,2-dimethyl-1h-imidazole-4-sulphonyl chlorideSCHEMBL388492

이름 더 보기

1,2-디메틸-1H-이미다졸-4-설포닐클로라이드BB_SC-2496BUTTPARK 27\06-13SALOR-INT L481165-1EA1,2-dimethyl-4-imidazolesulfonyl chloride1H-Imidazole-4-sulfonylchloride, 1,2-dimethyl-1,2-Dimethyl-1H-imidazole-4-sulphonylchloride95%

orb3181517DTXSID70371234JPAFTHVNSBWVQJ-UHFFFAOYSA-NALBB-021363SBB079256AKOS002663610AT12182(1,2-dimethylimidazol-4-yl)chlorosulfone

데이터베이스 식별자

CAS: 137049-02-6
PubChem CID: 2736256
DTXSID: DTXSID70371234
EC Number: 655-195-0
Nikkaji: J938.929F

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 60.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 235

물리화학적 성질

녹는점: 91 °C · 91 °C
끓는 점: 357.5 · 357.5±15.0 °C(Predicted)
밀도: 1.52 · 1.52±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 가루
산도 계수 (pKa): 1.18 · 1.18±0.70(Predicted)
색상: 하얀색
안정성: 수분 민감성, 흡습성

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (92.9%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.