CAS 175136-83-1 3,5-Dimethylisoxazole-4-sulfonamide (HCID 4962303)

基本情報

CAS: 175136-83-1
標準SMILES: Cc1noc(C)c1S(N)(=O)=O
InChIKey: GXRGFHCFXQFLBX-UHFFFAOYSA-N
分子式: C5H8N2O3S
平均分子量: 176.2 g/mol
単同位体質量: 176.0255633

名称と識別子

優先名称: 3,5-Dimethylisoxazole-4-sulfonamide
IUPAC: 3,5-dimethyl-1,2-oxazole-4-sulfonamide
英語名: 4-Isoxazolesulfonamide,3,5-dimethyl-(9CI)
分子式: C5H8N2O3S
分子量: 176.19

名称と別名

3,5-dimethylisoxazole-4-sulfonamide175136-83-1dimethyl-1,2-oxazole-4-sulfonamideDTXSID40407059RefChem:487040DTXCID10357911858-904-33,5-dimethyl-1,2-oxazole-4-sulfonamideMFCD001045773,5-dimethyl-4-isoxazolesulfonamideOprea1_552734SCHEMBL51166

名称をさらに表示

4-Isoxazolesulfonamide, 3,5-dimethyl-4-Isoxazolesulfonamide,3,5-dimethyl-(9CI)

SCHEMBL1323519GXRGFHCFXQFLBX-UHFFFAOYSA-NHMS1719K04AHA13683SBB0891693,5-dimethylisoxazol-4-ylsulfonamide3,5-Dimethyl-isoxazole-4-sulfonamide3,5-dimethylisoxazol-4-ylsulphonamide

データベース識別子

CAS: 175136-83-1
PubChem CID: 4962303
DTXSID: DTXSID40407059
EC Number: 858-904-3

物性

構造計算による物性

XLogP: -0.3
極性表面積: 94.6 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 233

物理化学的性質

沸点: 380.7 · 380.7±52.0 °C(Predicted)
比重(密度): 1.387 · 1.387±0.06 g/cm3(Predicted)
酸解離定数(Pka): 9.41 · 9.41±0.60(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.