Grundinformationen
- Standard-SMILES
Nc1cc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2cc1S(=O)(=O)O- InChIKey
GFPQSWFFPRQEHH-UHFFFAOYSA-N- Summenformel
- C10H9NO9S3
- Durchschnittliche Molmasse
- 383,4 g/mol
- Monoisotopische Masse
- 382,94394387
Namen und Bezeichner
- Bevorzugter Name
- 1,3,6-Naphthalenetrisulfonic acid, 7-amino-
- IUPAC
- 7-aminonaphthalene-1,3,6-trisulfonic acid
- Englischer Name
- 2-Amino-3,6,8-naphthalenetrisulfonic acid
- Summenformel
- C10H9NO9S3
- Molmasse
- 383.37
Namen und Synonyme
118-03-62-Amino-3,6,8-naphthalenetrisulfonic acid1,3,6-NAPHTHALENETRISULFONIC ACID, 7-AMINO-2-Naphthylamine-3,6,8-trisulfonic acid7-Amino-1,3,6-naphthalenetrisulfonic acidNSC 7561EINECS 204-229-9BRN 2681042Kyselina 2-naftylamin-3,6,8-trisulfonova [Czech]Kyselina 2-naftylamin-3,6,8-trisulfonovaDTXSID40594650-14-00-00800 (Beilstein Handbook Reference)
Weitere Namen anzeigen
K-ACIDAMINO K ACID2-R amino acidkyselinakochovaAmino K Acid(K Acid)6-naphthalenetrisulfonicacid,7-amino-37-Amino-1,3,6-naphthalenesulfonic Acid2-NAPTHYLAMINE-3,6,8 TRI SULPHONIC ACIDkyselina2-naftylamin-3,6,8-trisulfonova
RefChem:72389DTXCID40334257-aminonaphthalene-1,3,6-trisulfonic acidKyselina kochovaMFCD00035721NSC-7561Kyselina kochova [Czech]7-Aminonaphthalene-1,3,6-trisulphonic acid
Datenbank-Bezeichner
- CAS
118-03-6- PubChem CID
- 8349
- DTXSID
DTXSID4059465- UNII
- XJ2U5L6AXF
- EC Number
- 204-229-9
- Nikkaji
- J58.185B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,7
- Polarare Oberfläche (TPSA)
- 214 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 10
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 756
Physikochemische Eigenschaften
- Siedepunkt
- 702.53 ℃[at · 702.53℃[at 101 325 Pa]
- Dichte
- 1.7995 · 1.7995 (rough estimate)
- Brechungsindex
- 1.68 · 1.6800 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- -1.27 · -1.27±0.40(Predicted)
- Wasserlöslichkeit
- 1000 g/L · 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
- -11.96 · -11.96
- CAS Datenbank
- 118 · 118-03-6(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1,3,6-Naphthalenetrisulfonic acid, 7-amino- (118-03-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H314 (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.
Gefahrenhinweise
Regulatory Information
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 CategoriesSkin Corr. 1B (50%)
Sicherheitsdaten
- tsca
- TSCA listed
- Toxizität
- rat,LD50,oral,13gm/kg (13000mg/kg),"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1058, 1986.
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information1,3,6-Naphthalenetrisulfonic acid, 7-amino-: ACTIVE
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