Grundinformationen
- Standard-SMILES
O=S(=O)(O)c1cccc2c(O)cccc12- InChIKey
YLKCHWCYYNKADS-UHFFFAOYSA-N- Summenformel
- C10H8O4S
- Durchschnittliche Molmasse
- 224,23 g/mol
- Monoisotopische Masse
- 224,01432991
Namen und Bezeichner
- Bevorzugter Name
- 1-Naphthalenesulfonic acid, 5-hydroxy-
- IUPAC
- 5-hydroxynaphthalene-1-sulfonic acid
- Englischer Name
- 1-Naphthol-5-sulfonic acid
- Summenformel
- C10H8O4S
- Molmasse
- 224.23
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
117-59-9- PubChem CID
- 67025
- DTXSID
DTXSID0059459- UNII
- D52SG5GP79
- EC Number
- 204-199-7
- Nikkaji
- J95.585J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 83 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 319
Physikochemische Eigenschaften
- Schmelzpunkt
- 110 · 110~112℃
- Dichte
- 1.549 · 1.549±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 0.26 · 0.26±0.40(Predicted)
- InChI
- InChI=1S/C10H8O4S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6,11H,(H,12,13,14)
- InChIKey
- YLKCHWCYYNKADS-UHFFFAOYSA-N
- SMILES
- C1(S(O)(=O)=O)=C2C(C(O)=CC=C2)=CC=C1
- CAS Datenbank
- 117 · 117-59-9(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1-Naphthalenesulfonic acid, 5-hydroxy- (117-59-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 94.9% (37 of 39) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 37 of 39 companies (only 5.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 39 reports by companies from 3 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 37 of 39 reports by companies.;There are 2 notifications provided by 2 of 39 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Sicherheitsdaten
- tsca
- TSCA listed
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