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HCID 6939Erstellt: 2. November 2026

4-Acetamido-2-aminobenzolsulfonsure

Acetyl MPDSA · 3-Amino · Acetyl MPDSA, Sodium Salt · 3'-amino-4'-sulfoacetanilide · 3-Aminoacetanilid-4-sulfonsure · 5-NITRO-2-AMINOBENZOTRIFLUORIDE · 2-AMINO-5-NITRO-TRIFLUOROBENZENE · 2-TRIFLUOROMETHYL-4-NITROANILINE

https://huagongshe.com/de/chemical/6939

Molekülstruktur von 4-Acetamido-2-aminobenzolsulfonsure

Identifikatoren & physikalische Daten

CAS No.	88-64-2
Summenformel	C8H10N2O4S
Durchschnittliche Molmasse	230,24 g/mol
Monoisotopische Masse	230,03612798 g/mol
SMILES	CC(=O)Nc1ccc(S(=O)(=O)O)c(N)c1
InChIKey	FOINSAWEWXUXPQ-UHFFFAOYSA-N
PubChem CID	6939
EC No.	201-847-0
DTXSID	DTXSID6058974
Lokaler Name	4-Acetamido-2-aminobenzolsulfonsure

Chemische & physikalische Eigenschaften

XLogP	-0,3
Polarare Oberfläche (TPSA)	118
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	2
Schwere Atome	15
Formalladung	0
Komplexität	335
Schmelzpunkt	90-92 °C(lit.)
Dichte	1.4655 (rough estimate)
Brechungsindex	1.5690 (estimate)
Lagerbedingungen	Room Temperature
Löslichkeit	DMSO
Aggregatzustand	Solid
pKa (Säurekonstante)	-1.34±0.50(Predicted)
Farbe	Light Grey
CAS Datenbank	88-64-2(CAS DataBase Reference)
EPA chemische Informationen	Benzenesulfonic acid, 4-(acetylamino)-2-amino- (88-64-2)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 4.5% (2 of 44) of reports.WarningH315 (86.4%): Causes skin irritation [Warning Skin corrosion/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 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (86.4%)
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
Zollcode	2924.29.7790
RTECS-Nr.	AE7050000
R-Sätze (R)	36/37/38-34
Gefahrensymbole	Xi,C
Sicherheitshinweise (S)	26-36/37-45-36/37/39

CAS No.

88-64-2

Summenformel

C8H10N2O4S

Durchschnittliche Molmasse

230,24 g/mol

Monoisotopische Masse

230,03612798 g/mol

SMILES

CC(=O)Nc1ccc(S(=O)(=O)O)c(N)c1

InChIKey

FOINSAWEWXUXPQ-UHFFFAOYSA-N

PubChem CID

6939

EC No.

201-847-0

DTXSID

DTXSID6058974

Lokaler Name

4-Acetamido-2-aminobenzolsulfonsure

Chemische & physikalische Eigenschaften

XLogP

-0,3

Polarare Oberfläche (TPSA)

118

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

335

Schmelzpunkt

90-92 °C(lit.)

Dichte

1.4655 (rough estimate)

Brechungsindex

1.5690 (estimate)

Lagerbedingungen

Room Temperature

Löslichkeit

DMSO

Aggregatzustand

Solid

pKa (Säurekonstante)

-1.34±0.50(Predicted)

Farbe

Light Grey

CAS Datenbank

88-64-2(CAS DataBase Reference)

EPA chemische Informationen

Benzenesulfonic acid, 4-(acetylamino)-2-amino- (88-64-2)

Sicherheit & Vorschriften

GHS-Einstufung

This chemical does not meet GHS hazard criteria for 4.5% (2 of 44) of reports.WarningH315 (86.4%): Causes skin irritation [Warning Skin corrosion/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 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Skin Irrit. 2 (86.4%)

Wassergefährdungsklasse (WGK)

TSCA-Inventar-Status

TSCA listed

Zollcode

2924.29.7790

RTECS-Nr.

AE7050000

R-Sätze (R)

36/37/38-34

Gefahrensymbole

Xi,C

Sicherheitshinweise (S)

26-36/37-45-36/37/39