CAS 3476-02-6 4-Chloro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione (HCID 15567171)

基本情報

CAS: 3476-02-6
標準SMILES: O=C1NS(=O)(=O)c2cccc(Cl)c21
InChIKey: NNNBYOYSLQUCNI-UHFFFAOYSA-N
分子式: C7H4ClNO3S
平均分子量: 217.63 g/mol
単同位体質量: 216.96004167

名称と識別子

優先名称: 4-Chloro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
IUPAC: 4-chloro-1,1-dioxo-1,2-benzothiazol-3-one

名称と別名

4-chloro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trioneRefChem:520846898-828-83476-02-64-Chlorobenzo[d]isothiazol-3(2H)-one 1,1-dioxideMFCD279557384-Chloro-1,1-dioxo-1,2-dihydro-1l6-benzo[d]isothiazol-3-one4-chloro-1,1-dioxo-1,2-benzothiazol-3-one4-chlorosaccharin4-ChlorosaccharineKinome_14254-chloro-1,2-benzisothiazole-3-one-1,1-dioxide

名称をさらに表示

SCHEMBL1725776CHEMBL1987003DTXSID70574425NNNBYOYSLQUCNI-UHFFFAOYSA-NAKOS027196498DB-357902CS-0109991D76967

データベース識別子

CAS: 3476-02-6
PubChem CID: 15567171
DTXSID: DTXSID70574425
ChEMBL: CHEMBL1987003
EC Number: 898-828-8

物性

構造計算による物性

XLogP: 1
極性表面積: 71.6 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 13
形式電荷: 0
複雑度: 334

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.