Cyclopentyl 4-methylbenzene-1-sulfonate

HCID 317685CAS 3558-06-3

基本情報

標準SMILES: Cc1ccc(S(=O)(=O)OC2CCCC2)cc1
InChIKey: ZWOQVPFVARFZSF-UHFFFAOYSA-N
分子式: C12H16O3S
平均分子量: 240.32 g/mol
単同位体質量: 240.08201537

名称と識別子

優先名称: Cyclopentyl 4-methylbenzene-1-sulfonate
IUPAC: cyclopentyl 4-methylbenzenesulfonate

名称と別名

cyclopentyl 4-methylbenzene-1-sulfonateRefChem:581077971-480-5cyclopentyl tosylate3558-06-3cyclopentyl 4-methylbenzenesulfonateCHEMHERE CHEM42456cyclopentyl p-toluenesulfonateNSC250985cyclopentyl-p-toluenesulfonateSCHEMBL777214DTXSID20312172

名称をさらに表示

ZWOQVPFVARFZSF-UHFFFAOYSA-Ncyclopentyl 4-methylbenzenesulphonateNSC-250985p-toluenesulfonic acid, cyclopentyl esterCYCLOPENTANOL, 4-METHYLBENZENESULFONATEEN300-1472408

データベース識別子

CAS: 3558-06-3
PubChem CID: 317685
DTXSID: DTXSID20312172
EC Number: 971-480-5
Nikkaji: J598.460B

物性

構造計算による物性

XLogP: 2.8
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: 3
重原子数: 16
形式電荷: 0
複雑度: 304

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.