6-Chloro-5-methylpyridine-3-sulfonyl chloride

HCID 54594174CAS 37105-10-5

基本情報

標準SMILES: Cc1cc(S(=O)(=O)Cl)cnc1Cl
InChIKey: SMRVMBZCJFWJFF-UHFFFAOYSA-N
分子式: C6H5Cl2NO2S
平均分子量: 226.08 g/mol

名称と識別子

優先名称: 6-Chloro-5-methylpyridine-3-sulfonyl chloride
IUPAC: 6-chloro-5-methylpyridine-3-sulfonyl chloride
英語名: 6-chloro-5-Methylpyridine-3-sulfonyl chloride
分子式: C6H5Cl2NO2S
分子量: 226.08

名称と別名

6-chloro-5-methylpyridine-3-sulfonyl chloride37105-10-5RefChem:541799825-295-06-Chloro-5-methyl-pyridine-3-sulfonyl chlorideMFCD098811906-Chloro-5-methyl-pyridine-3-sulphonyl chloride3-Pyridinesulfonyl chloride, 6-chloro-5-methyl-SCHEMBL1156197SCHEMBL30456616SMRVMBZCJFWJFF-UHFFFAOYSA-NMBA10510

名称をさらに表示

AKOS006335401SY123536DB-1243126-chloro-5-methylpyridine-3-sulfonylchlorideCS-0035506EN300-801466-Chloro-5-methyl-pyridine-3-sulphonylchlorideW12711

データベース識別子

CAS: 37105-10-5
PubChem CID: 54594174
EC Number: 825-295-0

物性

構造計算による物性

XLogP: 2.2
極性表面積: 55.4 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: 12
形式電荷: 0
複雑度: 249

物理化学的性質

沸点: 330.2 · 330.2±42.0 °C(Predicted)
比重(密度): 1.532 · 1.532±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C, · -20°C, sealed storage, away from moisture
外見: Fluffy solid
酸解離定数(Pka): -4.68 · -4.68±0.10(Predicted)
色: beige

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, 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.