4-メトキシ-2,6-ジメチルベンゼンスルホニルクロリド

4-Methoxy-2,6-dimethylbenzene-1-sulfonyl chloride

HCID 15917496CAS 55661-08-0

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1cc(C)c(S(=O)(=O)Cl)c(C)c1
InChIKey: FARJAHHRGCAAOY-UHFFFAOYSA-N
分子式: C9H11ClO3S
平均分子量: 234.7 g/mol
単同位体質量: 234.0117431

名称と識別子

優先名称: 4-Methoxy-2,6-dimethylbenzene-1-sulfonyl chloride
IUPAC: 4-methoxy-2,6-dimethylbenzenesulfonyl chloride
現地名: 4-メトキシ-2,6-ジメチルベンゼンスルホニルクロリド
英語名: 4-Methoxy-2,6-dimethylbenzenesulfonyl chloride
分子式: C9H11ClO3S
分子量: 234.7

名称と別名

55661-08-04-methoxy-2,6-dimethylbenzene-1-sulfonyl chlorideDTXSID10579530RefChem:293766DTXCID40530295875-103-44-methoxy-2,6-dimethylbenzenesulfonyl chloride4-methoxy-2,6-dimethyl-benzenesulfonyl chlorideMFCD002103272,6-Dimethyl-4-methoxybenzenesulphonyl chlorideBenzenesulfonyl chloride, 4-methoxy-2,6-dimethyl-2,6-dimethyl-4-methoxyphenylsulfonyl chloride

名称をさらに表示

4-メトキシ-2,6-ジメチルベンゼンスルホニルクロリド4-methoxy-2,6-dimethyl-benzensulfonyl4-Methoxy-2,6-xylenesulfonyl chloride4-Methoxy-2,6-dimethylbenzenesulfonyl4-Methxy-2,6-dimethylbenzenesulfonyl Chloride2,6-Dimethyl-4-methoxybenzenesulfonyl chloride5-methoxy-2,3-dimethylbenzene-1-sulfonyl chloride

4-Methoxy-2,6-dimethylbenzenesulfonylchlorideSCHEMBL152815FARJAHHRGCAAOY-UHFFFAOYSA-NAKOS009208064SB37650AS-31302SY008164DB-072022

データベース識別子

CAS: 55661-08-0
PubChem CID: 15917496
DTXSID: DTXSID10579530
EC Number: 875-103-4
Nikkaji: J409.377A

物性

構造計算による物性

XLogP: 2.6
極性表面積: 51.8 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: 2
重原子数: 14
形式電荷: 0
複雑度: 271

物理化学的性質

沸点: 167 · 167-170 °C(Press: 16 Torr)
比重(密度): 1.285 · 1.285
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.