2-Phenylbenzene-1-sulfonamide

HCID 12371520CAS 40182-06-7

基本情報

標準SMILES: NS(=O)(=O)c1ccccc1-c1ccccc1
InChIKey: SBXDENYROQKXBE-UHFFFAOYSA-N
分子式: C12H11NO2S
平均分子量: 233.29 g/mol
単同位体質量: 233.05104977

名称と識別子

優先名称: 2-Phenylbenzene-1-sulfonamide
IUPAC: 2-phenylbenzenesulfonamide
英語名: 2-phenylbenzene-1-sulfonamide
分子式: C12H11NO2S
分子量: 233.29

名称と別名

[1,1'-Biphenyl]-2-sulfonamide2-phenylbenzene-1-sulfonamide(1,1'-Biphenyl)-2-sulfonamideRefChem:478135841-176-640182-06-72-phenylbenzenesulfonamidebiphenylsulfonamidebiphenyl sulfonamide2-biphenylsulfonamide2-biphenylylsulfonamideSCHEMBL48885

名称をさらに表示

1,1'-Biphenyl]-2-sulfonamide

SCHEMBL2084351,1'-biphenyl-2-sulfonamideSCHEMBL2643658SCHEMBL6640007SCHEMBL7366015SCHEMBL8477910SCHEMBL8484278CHEMBL4091235

データベース識別子

CAS: 40182-06-7
PubChem CID: 12371520
DTXSID: DTXSID50494854
ChEMBL: CHEMBL4091235
EC Number: 841-176-6
Nikkaji: J3.611.419C

物性

構造計算による物性

XLogP: 2.1
極性表面積: 68.5 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: 2
重原子数: 16
形式電荷: 0
複雑度: 314

物理化学的性質

融点: 121 · 121-122 °C(Solv: ethanol (64-17-5); water (7732-18-5))
沸点: 443.1 · 443.1±38.0 °C(Predicted)
比重(密度): 1.27 · 1.270±0.06 g/cm3(Predicted)
酸解離定数(Pka): 9.99 · 9.99±0.60(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.