Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용

HCID 229352생성일: 2026년 10월 27일

3-Sulfamoylbenzoic acid

Nsc22977 · NSC 85501 · BUTTPARK 148\07-55 · 3-sulfaMoylbenzoate · 3-SULFAMOYL-BENZOIC · TIMTEC-BB SBB010997 · 3-Sulfamoylbenzoicaci · 3-Sulfamylbenzoic acid

https://huagongshe.com/ko/chemical/229352

식별자 및 물리적 특성

CAS No.	636-76-0
분자식	C7H7NO4S
평균 분자량	201.2 g/mol
단동위원소 질량	201.00957888 g/mol
SMILES	NS(=O)(=O)c1cccc(C(=O)O)c1
InChIKey	NAETXYOXMDYNLE-UHFFFAOYSA-N
PubChem CID	229352
ChEMBL	CHEMBL1213567
EC No.	801-847-6
DTXSID	DTXSID50281766

화학 및 물리적 성질

XLogP	0
극성 표면적	106
수소 결합 공여자 수	2
수소 결합 수용자 수	5
회전 가능 결합 수	2
무거운 원자 수	13
형식 전하	0
복잡도	292
녹는점	251-252℃
끓는 점	476.1±47.0 °C(Predicted)
밀도	1.536±0.06 g/cm3(Predicted)
저장 조건	Sealed in dry,Room Temperature
pKa(산도 계수)	pK1:3.54 (25°C)

화학적 성질

White solid

안전 및 규제

GHS 분류	WarningH315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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.
Hazard Classes and Categories	Skin Irrit. 2 (75%)Eye Irrit. 2 (100%)STOT SE 3 (75%)
관세 코드	29350090
위험 문구(R)	36
위험 표시	Xi
안전 문구(S)	26-24/25-22
위험 등급	IRRITANT

CAS No.

636-76-0

분자식

C7H7NO4S

평균 분자량

201.2 g/mol

단동위원소 질량

201.00957888 g/mol

SMILES

NS(=O)(=O)c1cccc(C(=O)O)c1

InChIKey

NAETXYOXMDYNLE-UHFFFAOYSA-N

PubChem CID

229352

ChEMBL

CHEMBL1213567

EC No.

801-847-6

DTXSID

DTXSID50281766

화학 및 물리적 성질

XLogP

극성 표면적

106

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

292

녹는점

251-252℃

끓는 점

476.1±47.0 °C(Predicted)

밀도

1.536±0.06 g/cm3(Predicted)

저장 조건

Sealed in dry,Room Temperature

pKa(산도 계수)

pK1:3.54 (25°C)

화학적 성질

White solid

안전 및 규제

GHS 분류

WarningH315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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.

Hazard Classes and Categories

Skin Irrit. 2 (75%)Eye Irrit. 2 (100%)STOT SE 3 (75%)

관세 코드

29350090

위험 문구(R)

위험 표시

안전 문구(S)

26-24/25-22

위험 등급

IRRITANT