1,2-ジメチル-1H-イミダゾール-4-スルホニルクロリド

1,2-Dimethylimidazole-4-sulfonyl chloride

HCID 2736256CAS 137049-02-6

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1nc(S(=O)(=O)Cl)cn1C
InChIKey: JPAFTHVNSBWVQJ-UHFFFAOYSA-N
分子式: C5H7ClN2O2S
平均分子量: 194.64 g/mol
単同位体質量: 193.99167614

概要

structure in first source

名称と識別子

優先名称: 1,2-Dimethylimidazole-4-sulfonyl chloride
IUPAC: 1,2-dimethylimidazole-4-sulfonyl chloride
現地名: 1,2-ジメチル-1H-イミダゾール-4-スルホニルクロリド
英語名: 1,2-DIMETHYL-1H-IMIDAZOLE-4-SULFONYL CHLORIDE
分子式: C5H7ClN2O2S
分子量: 194.64

名称と別名

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

名称をさらに表示

1,2-ジメチル-1H-イミダゾール-4-スルホニルクロリド1,2-ジメチルイミダゾール-4-スルホニルクロリドBB_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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.8
極性表面積: 60.3 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 235

物理化学的性質

融点: 91 °C · 91 °C
沸点: 357.5 · 357.5±15.0 °C(Predicted)
比重(密度): 1.52 · 1.52±0.1 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: powder
酸解離定数(Pka): 1.18 · 1.18±0.70(Predicted)
色: White
安定性: 湿気に敏感、吸湿性
CAS データベース: 137049 · 137049-02-6(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

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.