1,3,6-Naphthalenetrisulfonic acid, 7-amino-

K-ACID · AMINO K ACID · 2-R amino acid · kyselinakochova · Amino K Acid(K Acid) · 2-NAPHTHYLAMINE-3,6,8-TRISULFONIC ACID · 6-naphthalenetrisulfonicacid,7-amino-3 · 7-Amino-1,3,6-naphthalenesulfonic Acid

https://huagongshe.com/de/chemical/8349

Molekülstruktur von 1,3,6-Naphthalenetrisulfonic acid, 7-amino-

Identifikatoren & physikalische Daten

CAS No.	118-03-6
Summenformel	C10H9NO9S3
Durchschnittliche Molmasse	383,4 g/mol
Monoisotopische Masse	382,94394387 g/mol
SMILES	Nc1cc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2cc1S(=O)(=O)O
InChIKey	GFPQSWFFPRQEHH-UHFFFAOYSA-N
PubChem CID	8349
EC No.	204-229-9
DTXSID	DTXSID4059465

Chemische & physikalische Eigenschaften

XLogP	-0,7
Polarare Oberfläche (TPSA)	214
H-Brücken-Donoren	4
H-Brücken-Akzeptoren	10
Frei drehbare Bindungen	3
Schwere Atome	23
Formalladung	0
Komplexität	756
Siedepunkt	702.53℃[at 101 325 Pa]
Dichte	1.7995 (rough estimate)
Brechungsindex	1.6800 (estimate)
Lagerbedingungen	2-8°C
pKa (Säurekonstante)	-1.27±0.40(Predicted)
Löslichkeit	1000g/L at 25℃
InChI	InChI=1S/C10H9NO9S3/c11-8-4-7-5(2-10(8)23(18,19)20)1-6(21(12,13)14)3-9(7)22(15,16)17/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)
InChIKey	GFPQSWFFPRQEHH-UHFFFAOYSA-N
SMILES	C1(S(O)(=O)=O)=C2C(C=C(S(O)(=O)=O)C(N)=C2)=CC(S(O)(=O)=O)=C1
LogP (Verteilungskoeffizient)	-11.96
CAS Datenbank	118-03-6(CAS DataBase Reference)
EPA chemische Informationen	1,3,6-Naphthalenetrisulfonic acid, 7-amino- (118-03-6)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P203, P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P321, P332+P317, P337+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 20 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: 1,3,6-Naphthalenetrisulfonic acid, 7-amino-Status: Active Update: 12-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20735
Hazard Classes and Categories	Skin Corr. 1B (50%)
TSCA-Inventar-Status	TSCA listed
Toxizität	rat,LD50,oral,13gm/kg (13000mg/kg),"Prehled Prumyslove ToxikologieOrganicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1058, 1986.