Naphthalin-2,3-diol
2,3-Dihydroxynaphthalene
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Grundinformationen
- CAS
92-44-4- Standard-SMILES
Oc1cc2ccccc2cc1O- InChIKey
JRNGUTKWMSBIBF-UHFFFAOYSA-N- Summenformel
- C10H8O2
- Durchschnittliche Molmasse
- 160,17 g/mol
- Monoisotopische Masse
- 160,0524295
Überblick
Naphthalene-2,3-diol is a naphthalenediol.
Namen und Bezeichner
- Bevorzugter Name
- 2,3-Dihydroxynaphthalene
- IUPAC
- naphthalene-2,3-diol
- Lokaler Name
- Naphthalin-2,3-diol
- Englischer Name
- 2,3-Dihydroxynaphthalene
- Summenformel
- C10H8O2
- Molmasse
- 160.17
Namen und Synonyme
2,3-DihydroxynaphthaleneNaphthalene-2,3-diol92-44-42,3-NAPHTHALENEDIOLDTXSID2043903O9U131030ZCHEBI:38135NSC-8707DTXCID0023903RefChem:81773202-156-72,3-Dihydroxynapthalene
Weitere Namen anzeigen
2,3-Dihydroxy2,3-DIHYDROXYNAPHTHALENE, SUBL.Naphthalin-2,3-diolDihydroxynaphthaleneNaphthalenediol-(2,3)3-Dihydroxynaphthalene2,3-Dihydroxyphthalene
2,3-Dihydroxy naphthalene2,3-DihydroxynaphthleneNSC 8707MFCD00004073EINECS 202-156-73-hydroxy-2-naphtholBDBM362902,3-DIHYDROXY-NAPHTHALENE
Datenbank-Bezeichner
- CAS
92-44-4- PubChem CID
- 7091
- DTXSID
DTXSID2043903- ChEMBL
CHEMBL205007- ChEBI
CHEBI:38135- UNII
- O9U131030Z
- EC Number
- 202-156-7
- Nikkaji
- J30.353D
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 140
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Naphthols
Cosmetics
Cosmetic ingredients (2,3-Naphthalenediol) -> CIR (Cosmetic Ingredient Review)
Hair dyeing
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.24
Vapor Pressure0.00000715 [mmHg]
Physical DescriptionWhite powder; [Alfa Aesar MSDS]
Collision Cross Section
132.44 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
131.3 Ų [M-H]-
Physikochemische Eigenschaften
- Schmelzpunkt
- 161 · 161-165 °C (lit.) 162-164 °C
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (16%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2,3-Naphthalenediol
2,3-Naphthalenediol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Chemicals with limited data availability that may be used in hair dyes overseas: Human health tier II assessment
Hazards SummaryIntravenous LD50 (mouse) = 56 mg/kg; [RTECS] An irritant that may cause serious eye injury; Harmful by ingestion; [Alfa Aesar MSDS] See 1-Napththol and 2-Naphthol. See 2,7-Naphthalenediol.
Hazard Classes and CategoriesAcute Tox. 4 (16%)
Toxikologische Informationen
Toxicity Summary
The CIR Expert Panel concludes that the available data are insufficient to support the safety of 2,3-Naphthalenediol as used in cosmetics.
Ingredients for which the data are insufficient and their use in cosmetics is not supported
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites2,3-Dihydroxynaphthalene has known human metabolites that include 3-Methoxy-2-naphthol.
Verwendung und Herstellung
UsesCIR ingredient: 2,3-Naphthalenediol
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information2,3-Naphthalenediol: ACTIVE
Anwendungen
Verwenden2,3-Dihydroxynaphthalene is used in making dyes, pigments, fluorescent whiteners, tanning agents, antioxidants, and antiseptics.
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