Grundinformationen
- Standard-SMILES
COC1=CC(=O)C=CC1=O- InChIKey
ZJKWJHONFFKJHG-UHFFFAOYSA-N- Summenformel
- C7H6O3
- Durchschnittliche Molmasse
- 138,12 g/mol
- Monoisotopische Masse
- 138,03169405
Überblick
2-Methoxy-1,4-benzoquinone is a member of benzoquinones and a member of p-quinones.
Namen und Bezeichner
- Bevorzugter Name
- 2-Methoxy-1,4-benzoquinone
- IUPAC
- 2-methoxycyclohexa-2,5-diene-1,4-dione
- Englischer Name
- METHOXYBENZOQUINONE
- Summenformel
- C7H6O3
- Molmasse
- 138.12
Namen und Synonyme
2880-58-2Methoxybenzoquinone2-methoxycyclohexa-2,5-diene-1,4-dione2-Methoxy-1,4-benzoquinone2-Methoxy-p-benzoquinoneMethoxy-p-benzoquinoneNSC-5088764JG695W2CXRefChem:4741242-methoxy-para-benzoquinonep-Benzoquinone, methoxy2,5-Cyclohexadiene-1,4-dione, 2-methoxy-
Weitere Namen anzeigen
Methoxy-p-quinoneMethoxybenzoquinone>2-Methoxy-p-benzoquinone
MFCD001447552-methoxybenzo-1,4-quinone2-methoxy-2,5-Cyclohexadiene-1,4-dione2-Methoxy-[1,4]benzoquinoneCHEMBL4308452-methoxyquinoneMCW2-methoxybenzoquinone
Datenbank-Bezeichner
- CAS
2880-58-2- PubChem CID
- 76146
- DTXSID
DTXSID00182991- ChEMBL
CHEMBL430845- ChEBI
CHEBI:173575- UNII
- 4JG695W2CX
- EC Number
- 809-193-3
- Nikkaji
- J256.620F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,1
- Polarare Oberfläche (TPSA)
- 43,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 235
Experimentelle und physikochemische Eigenschaften
LogP
-0.06
0.27
Melting Point145 °C
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 147 °C · 147°C
- Siedepunkt
- 246.7 · 246.7±29.0 °C(Predicted)
- Dichte
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- within very faint turbidity in hot Methanol
- Aggregatzustand
- powder to crystal
- Farbe
- Light orange to Yellow to Green
- CAS Datenbank
- 2880 · 2880-58-2
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- hs_code
- 2914500090
- risk_code
- 36/37/38
- safety_code
- 26-36
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
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