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HCID 175114생성일: 2026년 11월 3일

Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-, ammonium salt (1:1)

Ammonium acetoacetanilide-5-sulfonate · N-Acetoaceticcresidinesulfonicacidammoniumsalt · N-AcetoacetCresidineSulfonicAcid(AmmoniumSalt) · ACETOACET CRESIDINE SULFONIC ACID AMMONIUM SALT · N-AcetoacetylCresidineSulfonicAcid,AmmoniumSalt · Acetoacetyl cresidine sulfonic acid ammonium salt · N-ACETOACET-P-CRESIDINE-O-SULFONIC ACID AMMONIUM SALT · Ammonium-4-acetoacetylamino-5-methoxy-2-methylbenzolsulfonat

https://huagongshe.com/ko/chemical/175114

Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-, ammonium salt (1:1) 분자 구조식

식별자 및 물리적 특성

CAS No.	72705-22-7
분자식	C12H18N2O6S
평균 분자량	318.35 g/mol
단동위원소 질량	318.08855747 g/mol
SMILES	COc1cc(S(=O)(=O)[O-])c(C)cc1NC(=O)CC(C)=O.[NH4+]
InChIKey	ZPDRZMNAFLBUOA-UHFFFAOYSA-N
PubChem CID	175114
EC No.	276-769-3
DTXSID	DTXSID8072584

화학 및 물리적 성질

극성 표면적	122
수소 결합 공여자 수	2
수소 결합 수용자 수	6
회전 가능 결합 수	4
무거운 원자 수	21
형식 전하	0
복잡도	456
밀도	0.55g/cm3 at 20℃
증기압	0.001Pa at 20℃
저장 조건	Sealed in dry,Room Temperature
물리적 상태	가루
LogP(분배 계수)	-2.7 at 23℃ and pH7
EPA	Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-, monoammonium salt (72705-22-7)

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 7.1% (8 of 113) of reports.WarningH317 (92.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 113 reports by companies from 3 notifications to the ECHA C&L Inventory.
규제 정보	PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.REACH registered substance: Ammonium 4-acetoacetylamino-5-methoxy-2-methylbenzenesulphonate (EC: 276-769-3)
Hazard Classes and Categories	Skin Sens. 1 (92.9%)
TSCA 등재 상태	TSCA listed

Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-, ammonium salt (1:1)

CAS No.

72705-22-7

분자식

C12H18N2O6S

평균 분자량

318.35 g/mol

단동위원소 질량

318.08855747 g/mol

SMILES

COc1cc(S(=O)(=O)[O-])c(C)cc1NC(=O)CC(C)=O.[NH4+]

InChIKey

ZPDRZMNAFLBUOA-UHFFFAOYSA-N

PubChem CID

175114

EC No.

276-769-3

DTXSID

DTXSID8072584

화학 및 물리적 성질

극성 표면적

122

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

456

밀도

0.55g/cm3 at 20℃

증기압

0.001Pa at 20℃

저장 조건

Sealed in dry,Room Temperature

물리적 상태

가루

LogP(분배 계수)

-2.7 at 23℃ and pH7

EPA

Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-, monoammonium salt (72705-22-7)

안전 및 규제

GHS 분류

This chemical does not meet GHS hazard criteria for 7.1% (8 of 113) of reports.WarningH317 (92.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 113 reports by companies from 3 notifications to the ECHA C&L Inventory.

규제 정보

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.REACH registered substance: Ammonium 4-acetoacetylamino-5-methoxy-2-methylbenzenesulphonate (EC: 276-769-3)

Hazard Classes and Categories

Skin Sens. 1 (92.9%)

TSCA 등재 상태

TSCA listed