HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke

HCID 8563Erstellt: 30. Oktober 2026

3-Aminonaphthalin-1,5-disulfonsure

C ACID · AMINO C ACID · 2-NAPHTHYLAMINE-4,8-DISULFONIC ACID · 3-aminonaphthalene-1,5-disulfonic acid · acidiv · kyselinac · CASSELLA ACID · JACS-131-27-1

https://huagongshe.com/de/chemical/8563

Molekülstruktur von 3-Aminonaphthalin-1,5-disulfonsure

Identifikatoren & physikalische Daten

CAS No.	131-27-1
Summenformel	C10H9NO6S2
Durchschnittliche Molmasse	303,3 g/mol
Monoisotopische Masse	302,98712901 g/mol
SMILES	Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1
InChIKey	MTJGVAJYTOXFJH-UHFFFAOYSA-N
PubChem CID	8563
EC No.	205-020-5
DTXSID	DTXSID5059616
Lokaler Name	3-Aminonaphthalin-1,5-disulfonsure

Chemische & physikalische Eigenschaften

XLogP	0
Polarare Oberfläche (TPSA)	152
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	7
Frei drehbare Bindungen	2
Schwere Atome	19
Formalladung	0
Komplexität	531
Physical Description	Dry Powder
Siedepunkt	205.8°C (rough estimate)
Dichte	1.6329 (rough estimate)
Brechungsindex	1.7330 (estimate)
Lagerbedingungen	2-8°C
pKa (Säurekonstante)	-1.16±0.40(Predicted)
InChI	InChI=1S/C10H9NO6S2/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)
InChIKey	MTJGVAJYTOXFJH-UHFFFAOYSA-N
SMILES	C1(S(O)(=O)=O)=C2C(C(S(O)(=O)=O)=CC=C2)=CC(N)=C1
CAS Datenbank	131-27-1(CAS DataBase Reference)
EPA chemische Informationen	1,5-Naphthalenedisulfonic acid, 3-amino- (131-27-1)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 18.2% (2 of 11) of reports.WarningH319 (81.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 11 reports by companies from 2 notifications to the ECHA C&L Inventory.
Regulatorische Informationen	Chemical: 1,5-Naphthalenedisulfonic acid, 3-amino-1,5-Naphthalenedisulfonic acid, 3-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,5-Naphthalenedisulfonic acid, 3-amino- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 06-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17115
Hazard Classes and Categories	Eye Irrit. 2 (81.8%)
TSCA-Inventar-Status	TSCA listed
R-Sätze (R)	36/37/38
Toxizität	rat,LD50,oral,11400mg/kg (11400mg/kg),"Prehled Prumyslove ToxikologieOrganicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1058, 1986.
Sicherheitshinweise (S)	26-36/37/39

CAS No.

131-27-1

Summenformel

C10H9NO6S2

Durchschnittliche Molmasse

303,3 g/mol

Monoisotopische Masse

302,98712901 g/mol

SMILES

Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1

InChIKey

MTJGVAJYTOXFJH-UHFFFAOYSA-N

PubChem CID

8563

EC No.

205-020-5

DTXSID

DTXSID5059616

Lokaler Name

3-Aminonaphthalin-1,5-disulfonsure

Chemische & physikalische Eigenschaften

XLogP

Polarare Oberfläche (TPSA)

152

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

531

Physical Description

Dry Powder

Siedepunkt

205.8°C (rough estimate)

Dichte

1.6329 (rough estimate)

Brechungsindex

1.7330 (estimate)

Lagerbedingungen

2-8°C

pKa (Säurekonstante)

-1.16±0.40(Predicted)

InChI

InChI=1S/C10H9NO6S2/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)

InChIKey

MTJGVAJYTOXFJH-UHFFFAOYSA-N

SMILES

C1(S(O)(=O)=O)=C2C(C(S(O)(=O)=O)=CC=C2)=CC(N)=C1

CAS Datenbank

131-27-1(CAS DataBase Reference)

EPA chemische Informationen

1,5-Naphthalenedisulfonic acid, 3-amino- (131-27-1)

Sicherheit & Vorschriften

GHS-Einstufung

This chemical does not meet GHS hazard criteria for 18.2% (2 of 11) of reports.WarningH319 (81.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 11 reports by companies from 2 notifications to the ECHA C&L Inventory.

Regulatorische Informationen

Chemical: 1,5-Naphthalenedisulfonic acid, 3-amino-1,5-Naphthalenedisulfonic acid, 3-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,5-Naphthalenedisulfonic acid, 3-amino- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 06-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17115

Hazard Classes and Categories

Eye Irrit. 2 (81.8%)

TSCA-Inventar-Status

TSCA listed

R-Sätze (R)

36/37/38

Toxizität

rat,LD50,oral,11400mg/kg (11400mg/kg),"Prehled Prumyslove ToxikologieOrganicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1058, 1986.

Sicherheitshinweise (S)

26-36/37/39