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

HCID 70350CAS 946-30-5

기본 정보

표준 SMILES: O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[O-])c1.[Na+]
InChIKey: OUERFXCJVYJQJO-UHFFFAOYSA-M
분자식: C6H3ClNNaO5S
평균 분자량: 259.6 g/mol
단동위원소 질량: 258.9318153

이름 및 식별자

우선 이름: Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1)
IUPAC: sodium 2-chloro-5-nitrobenzenesulfonate

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 111 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 305

안전 및 규제

GHS 분류

GHS Classification · 6건

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.