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HCID 175114Erstellt: 2. November 2026

Ammonium-4-acetoacetylamino-5-methoxy-2-methylbenzolsulfonat

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/de/chemical/175114

Molekülstruktur von Ammonium-4-acetoacetylamino-5-methoxy-2-methylbenzolsulfonat

Identifikatoren & physikalische Daten

CAS No.	72705-22-7
Summenformel	C12H18N2O6S
Durchschnittliche Molmasse	318,35 g/mol
Monoisotopische Masse	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
Lokaler Name	Ammonium-4-acetoacetylamino-5-methoxy-2-methylbenzolsulfonat

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)	122
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	4
Schwere Atome	21
Formalladung	0
Komplexität	456
Dichte	0.55g/cm3 at 20℃
Dampfdruck	0.001Pa at 20℃
Lagerbedingungen	Sealed in dry,Room Temperature
Aggregatzustand	Powder
LogP (Verteilungskoeffizient)	-2.7 at 23℃ and pH7
CAS Datenbank	72705-22-7(CAS DataBase Reference)
EPA chemische Informationen	Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-, monoammonium salt (72705-22-7)

Sicherheit & Vorschriften

GHS-Einstufung	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.
Regulatorische Informationen	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-Inventar-Status	TSCA listed

Ammonium-4-acetoacetylamino-5-methoxy-2-methylbenzolsulfonat

Identifikatoren & physikalische Daten

CAS No.

72705-22-7

Summenformel

C12H18N2O6S

Durchschnittliche Molmasse

318,35 g/mol

Monoisotopische Masse

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

Lokaler Name

Ammonium-4-acetoacetylamino-5-methoxy-2-methylbenzolsulfonat

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)

122

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

456

Dichte

0.55g/cm3 at 20℃

Dampfdruck

0.001Pa at 20℃

Lagerbedingungen

Sealed in dry,Room Temperature

Aggregatzustand

Powder

LogP (Verteilungskoeffizient)

-2.7 at 23℃ and pH7

CAS Datenbank

72705-22-7(CAS DataBase Reference)

EPA chemische Informationen

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

Sicherheit & Vorschriften

GHS-Einstufung

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.

Regulatorische Informationen

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-Inventar-Status

TSCA listed