4-Hydrazinobenzenesulfonic acid

HCID 66825CAS 98-71-5

基本情報

標準SMILES: NNc1ccc(S(=O)(=O)O)cc1
InChIKey: IOMZCWUHFGMSEJ-UHFFFAOYSA-N
分子式: C6H8N2O3S
平均分子量: 188.21 g/mol
単同位体質量: 188.02556312

名称と識別子

優先名称: 4-Hydrazinobenzenesulfonic acid
IUPAC: 4-hydrazinylbenzenesulfonic acid

名称と別名

4-Hydrazinobenzenesulfonic acid98-71-54-hydrazinylbenzenesulfonic acidPhenylhydrazine-4-sulfonic acidBenzenesulfonic acid, 4-hydrazino-p-Sulfophenylhydrazine4-Sulfophenylhydrazinep-Hydrazinobenzenesulfonic acidPhenylhydrazinesulfonic acidPhenylhydrazine-p-sulfonic acidSulfanilic acid, N-amino-p-Hydrazinophenylsulfonic acid

名称をさらに表示

Benzenesulfonic acid, p-hydrazino-NSC 1608NSC-1608EINECS 202-694-2UNII-F3J225IK1DBRN 0514779F3J225IK1DAI3-09050

データベース識別子

CAS: 98-71-5
PubChem CID: 66825
DTXSID: DTXSID9059177
ChEMBL: CHEMBL510966
UNII: F3J225IK1D
EC Number: 202-694-2
Nikkaji: J41.354B

物性

構造計算による物性

XLogP: -2.4
極性表面積: 101 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 226

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (71.4%): 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 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.