Cyclohexylmethane sulfonyl chloride

HCID 3871475

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基本情報

CAS: 4352-30-1
標準SMILES: O=S(=O)(Cl)CC1CCCCC1
InChIKey: BNZZPMGQCWZOPS-UHFFFAOYSA-N
分子式: C7H13ClO2S
平均分子量: 196.7 g/mol
単同位体質量: 196.03247834

名称と識別子

優先名称: Cyclohexylmethane sulfonyl chloride
IUPAC: cyclohexylmethanesulfonyl chloride
英語名: Cyclohexyl-methanesulfonyl chloride
分子式: C7H13ClO2S
分子量: 196.69

名称と別名

CYCLOHEXYLMETHANE SULFONYL CHLORIDERefChem:580869692-476-7Cyclohexylmethanesulfonyl Chloride4352-30-1Cyclohexyl-methanesulfonyl chlorideMFCD03452748Cyclohexylmethanesulphonyl chloride[(Chlorosulphonyl)methyl]cyclohexanechloro(cyclohexylmethyl)sulfoneSCHEMBL965016Cyclohexylmethanesulfonylchloride

名称をさらに表示

CYCLOHEXANEMETHANESULFONYL CHLORIDEcyclohexylmethanesulfonyl chloridecyclohexylmethanesulfonyl chloride

cyclohexylmethylsulfonyl chloridecyclohexylmethylsulphonyl chlorideSCHEMBL27776341cylohexylmethane sulfonyl chlorideCyclohexylmethyl sulfonyl chlorideDTXSID50397659BNZZPMGQCWZOPS-UHFFFAOYSA-Ncyclohexyl-methane-sulfonylchloride

データベース識別子

CAS: 4352-30-1
PubChem CID: 3871475
DTXSID: DTXSID50397659
EC Number: 692-476-7
Nikkaji: J2.417.531F

物性

構造計算による物性

XLogP: 2.8
極性表面積: 42.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 199

物理化学的性質

融点: 114 · 114-115℃
沸点: 280 ℃ · 280℃
比重(密度): 1.229 · 1.229
闪点: 123 ℃ · 123℃
貯蔵温度: RT, stored under nitrogen

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.