Grundinformationen
- Standard-SMILES
O=C1C=CC(=O)c2c(O)ccc(O)c21- InChIKey
RQNVIKXOOKXAJQ-UHFFFAOYSA-N- Summenformel
- C10H6O4
- Durchschnittliche Molmasse
- 190,15 g/mol
- Monoisotopische Masse
- 190,02660867
Überblick
Naphthazarin is a naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 5 and 8 are replaced by hydroxy groups. It has a role as a geroprotector, an acaricide, an antibacterial agent, an antineoplastic agent, an apoptosis inducer and a plant metabolite.
Namen und Bezeichner
- Bevorzugter Name
- Naphthazarin
- IUPAC
- 5,8-dihydroxynaphthalene-1,4-dione
- Lokaler Name
- 5,8-Dihydroxy-1,4-naphthochinon
- Englischer Name
- 5,8-Dihydroxy-1,4-naphthoquinone
- Summenformel
- C10H6O4
- Molmasse
- 190.15
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
475-38-7- PubChem CID
- 10141
- DTXSID
DTXSID00197161- ChEMBL
CHEMBL274056- ChEBI
CHEBI:28849- UNII
- S9IX5I5C0K
- EC Number
- 207-495-4
- Nikkaji
- J12.362E、J939.863E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 74,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 277
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 220 · 220-230 °C(lit.)
- Siedepunkt
- 285.64 °C · 285.64°C (rough estimate)
- Dichte
- 1.3366 · 1.3366 (rough estimate)
- Brechungsindex
- 1.528 · 1.5280 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystaline
- pka
- 6.98 · 6.98±0.20(Predicted)
- Farbe
- Dark red to Brown
- Wasserlöslichkeit
- Soluble in water (5520 mg/L 25.).
- BRN
- 880561 · 880561
- Kosmetik-Inhaltsstoffe Funktionen
- COLORANTHAIR CONDITIONING
- InChI
- InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H
- InChIKey
- RQNVIKXOOKXAJQ-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C(O)=CC=C2O)C(=O)C=C1
- CAS Datenbank
- 475 · 475-38-7(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · 1,4-Naphthalenedione, 5,8-dihydroxy-(475-38-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2914409000
- RTECS-Nr.
- QL7970000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 22-24/25-37/39-26
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Darstellung
synthetische1,8-Dinitronaphthalene and 1,5-Dinitronaphthalene mixture or both alone and one of sulfur 40% fuming sulfuric ACID reaction, the product (5, 8 – dihydroxy – naphthoquinone) into Sulfurous acidhydrogen salt.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter50 Anbieter
Ergänzende Hinweise
DefinitionChEBI: A naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 5 and 8 are replaced by hydroxy groups.
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