CAS 90273-31-7 2-Methyl-1-benzothiophene-3-sulfonyl chloride (HCID 22998449)

基本情報

CAS: 90273-31-7
標準SMILES: Cc1sc2ccccc2c1S(=O)(=O)Cl
InChIKey: OPIFKAGXIKNRIR-UHFFFAOYSA-N
分子式: C9H7ClO2S2
平均分子量: 246.7 g/mol

名称と識別子

優先名称: 2-Methyl-1-benzothiophene-3-sulfonyl chloride
IUPAC: 2-methyl-1-benzothiophene-3-sulfonyl chloride
英語名: 2-methyl-1-benzothiophene-3-sulfonyl chloride
分子式: C9H7ClO2S2
分子量: 246.73

名称と別名

2-methyl-1-benzothiophene-3-sulfonyl chloride90273-31-7RefChem:474897818-643-8C9H7ClO2S22-methylbenzo[b]thiophene-3-sulfonyl chlorideBenzo[b]thiophene-3-sulfonyl chloride, 2-methylSCHEMBL6957613OPIFKAGXIKNRIR-UHFFFAOYSA-NQDA27331AKOS0063342422-methylbenzothiophene-3-sulfonyl chloride

名称をさらに表示

Benzo[b]thiophene-3-sulfonyl chloride, 2-methyl-

DB-1503042-methyl-1-benzothiophene-3-sulfonylchlorideCS-0230412EN300-103795

データベース識別子

CAS: 90273-31-7
PubChem CID: 22998449
EC Number: 818-643-8

物性

構造計算による物性

XLogP: 3.4
極性表面積: 70.8 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: 14
形式電荷: 0
複雑度: 309

物理化学的性質

融点: 117 · 117-118 °C
沸点: 105 · 105-109 °C(Press: 0.05 Torr)
比重(密度): 1.486 · 1.486±0.06 g/cm3(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.