Grundinformationen
- Standard-SMILES
Oc1ccc2ccc(O)cc2c1- InChIKey
DFQICHCWIIJABH-UHFFFAOYSA-N- Summenformel
- C10H8O2
- Durchschnittliche Molmasse
- 160,17 g/mol
- Monoisotopische Masse
- 160,0524295
Überblick
2,7-naphthalenediol has been reported in Magnolia liliiflora with data available.
Namen und Bezeichner
- Bevorzugter Name
- 2,7-Naphthalenediol
- IUPAC
- naphthalene-2,7-diol
- Lokaler Name
- Naphthalin-2,7-diol
- Englischer Name
- 2,7-Dihydroxynaphthalene
- Summenformel
- C10H8O2
- Molmasse
- 160.17
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
582-17-2- PubChem CID
- 11397
- DTXSID
DTXSID2060387- ChEMBL
CHEMBL205165- UNII
- 0TO8E448UD
- EC Number
- 209-478-7
- Nikkaji
- J70.178E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 142
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 185 · 185-190 °C (lit.)
- Siedepunkt
- 246.06 °C · 246.06°C (rough estimate)
- Dichte
- 1.0924 · 1.0924 (rough estimate)
- Brechungsindex
- 1.5418 · 1.5418 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Powder
- pka
- 9.14 · 9.14±0.40(Predicted)
- Farbe
- Gray
- Wasserlöslichkeit
- insoluble
- BRN
- 2042383 · 2042383
- Kosmetik-Inhaltsstoffe Funktionen
- HAIR DYEING
- InChI
- 1S/C10H8O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6,11-12H
- InChIKey
- DFQICHCWIIJABH-UHFFFAOYSA-N
- SMILES
- Oc1ccc2ccc(O)cc2c1
- LogP
- 1.98 · 1.980 (est)
- CAS Datenbank
- 582 · 582-17-2(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2,7-Naphthalenediol(582-17-2)
- EPA chemische Informationen
- 2 · 2,7-Naphthalenediol (582-17-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 1.2% (1 of 81) of reports.
Danger
H302 (14.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 81 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Gefahrenhinweise
Regulatory Information
Chemical: 2,7-Naphthalenediol
2,7-Naphthalene diol: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Not irritating to rabbit skin; Highly irritating and corrosive to rabbit eyes; A moderate skin sensitizer using the mouse local lymph node assay (LLNA); Changes in hematology (reduced hemoglobin in males and higher MCV and MCH values in females), clinical chemistry (increased GGT in males and ALT in females), and histopathological changes in liver and kidney observed in 90-day oral study of rats; Hematological changes and histopathology of liver and kidney reversed within four week recovery period; No evidence of teratogenicity in rats; Not likely to have mutagenic potential in vivo; [EC: SCCP] A skin and strong eye irritant; [Alfa Aesar MSDS] See 1-Napththol and 2-Naphthol.
Hazard Classes and Categories
Acute Tox. 4 (14.8%)
Eye damage - category 1
Toxikologische Informationen
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29072900
- RTECS-Nr.
- QJ4780000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Uses
Used in oxidative hair dye formulations; [EC: SCCP]
Dressing Hair [Category: Other]
Anwendungen
Verwenden2,7-Dihydroxynaphthalene can be used as starting material for the synthesis of sulfonic acids and divinylnaphthalenes.
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