2-클로로-4-설파모일라니린

2-클로로-4-설파모일라니린 · Diazoxide Impurity 11 · 2-CHLORO-4-SULFAMOYLANILINE · Hydrochlorothiazide Impurity 71 · 4-amino-3-chlorobenzenesulfonamide · 4-amino-3-chloro-benzenesulfonamid · Benzenesulfonamide, 4-amino-3-chloro- · 4-amino-3-chlorobenzene-1-sulfonamide

https://huagongshe.com/ko/chemical/1502014

식별자 및 물리적 특성

CAS No.	53297-68-0
분자식	C6H7ClN2O2S
평균 분자량	206.65 g/mol
단동위원소 질량	205.99167614 g/mol
SMILES	Nc1ccc(S(N)(=O)=O)cc1Cl
InChIKey	LFIOFZKZCDMGFG-UHFFFAOYSA-N
PubChem CID	1502014
ChEMBL	CHEMBL7092
EC No.	960-810-3
DTXSID	DTXSID80201417
현지명	2-클로로-4-설파모일라니린

화학 및 물리적 성질

XLogP	0.8
극성 표면적	94.6
수소 결합 공여자 수	2
수소 결합 수용자 수	4
회전 가능 결합 수	1
무거운 원자 수	12
형식 전하	0
복잡도	249
녹는점	161 °C
끓는 점	414.4±55.0 °C(Predicted)
밀도	1.558±0.06 g/cm3(Predicted)
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
물리적 상태	solid
pKa(산도 계수)	9.83±0.60(Predicted)
InChI	InChI=1S/C6H7ClN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)
InChIKey	LFIOFZKZCDMGFG-UHFFFAOYSA-N
SMILES	C1(S(N)(=O)=O)=CC=C(N)C(Cl)=C1

안전 및 규제

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
수질 위해 등급(WGK)	WGK 3
저장 분류	11 - Combustible Solids

용도

2-Chloro-4-sulfamoylanilide is an organic compound commonly used as a synthetic intermediate, especially in the synthesis of pharmaceuticals, pesticides and dyes.