Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1)

HCID 70350CAS 946-30-5

基本情報

標準SMILES: O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[O-])c1.[Na+]
InChIKey: OUERFXCJVYJQJO-UHFFFAOYSA-M
分子式: C6H3ClNNaO5S
平均分子量: 259.6 g/mol
単同位体質量: 258.9318153

名称と識別子

優先名称: Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1)
IUPAC: sodium 2-chloro-5-nitrobenzenesulfonate

名称と別名

Sodium 2-chloro-5-nitrobenzenesulphonateBenzenesulfonic acid, 2-chloro-5-nitro-, sodium salt2-Chloro-5-nitrobenzenesulfonic acid, sodium saltEINECS 213-418-5AI3-50027DTXSID4061339Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1)RefChem:564193DTXCID9048934213-418-5946-30-5sodium 2-chloro-5-nitrobenzenesulfonate

名称をさらに表示

2-Chloro-5-nitrobenzene Sodium Sulphonatesodium;2-chloro-5-nitrobenzenesulfonatesodium 2-chloro-5-nitrobenzene-1-sulfonate7XZ7SMC9AJSCHEMBL2483870SCHEMBL29396358SBB055153AKOS002347521

データベース識別子

CAS: 946-30-5
PubChem CID: 70350
DTXSID: DTXSID4061339
UNII: 7XZ7SMC9AJ
EC Number: 213-418-5

物性

構造計算による物性

極性表面積: 111 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 0
重原子数: 15
形式電荷: 0
複雑度: 305

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.

Warning

H319 (95.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1 of 41 reports by companies.；There are 2 notifications provided by 40 of 41 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.