2,3-Epoxy-2,3-dihydro-1,4-naphthochinon

2,3-Epoxy-2,3-dihydro-1,4-naphthoquinone

HCID 85844

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Grundinformationen

CAS: 15448-58-5
Standard-SMILES: O=C1c2ccccc2C(=O)C2OC12
InChIKey: TVVRFUOKLKGUKT-UHFFFAOYSA-N
Summenformel: C10H6O3
Durchschnittliche Molmasse: 174,15 g/mol
Monoisotopische Masse: 174,03169405

Namen und Bezeichner

Bevorzugter Name: 2,3-Epoxy-2,3-dihydro-1,4-naphthoquinone
IUPAC: 1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione
Lokaler Name: 2,3-Epoxy-2,3-dihydro-1,4-naphthochinon
Englischer Name: 1a,7a-Dihydronaphtho[2,3-b]oxirene-2,7-dione
Summenformel: C10H6O3
Molmasse: 174.15

Namen und Synonyme

15448-58-52,3-Epoxy-2,3-dihydro-1,4-naphthoquinoneEINECS 239-465-1NSC 102657RefChem:442590239-465-11a,7a-Dihydronaphtho[2,3-b]oxirene-2,7-dioneNaphtho[2,3-b]oxirene-2,7(1aH,7aH)-dione1aH,2H,7H,7aH-naphtho[2,3-b]oxirene-2,7-dioneNSC666392Naphth[2,3-b]oxirene-2,7-dione, 1a,7a-dihydro-NSC-102657

Weitere Namen anzeigen

AKOS MSC-01352,3-Epoxytetralin-1,4-dioneQ200 1,4-NAPHTHOQUINONE 2,3-EPOXIDE1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-quinone

1,4-Naphthoquinone, 2,3-epoxy-2,3-dihydro-1,4-Naphthoquinone 2,3-oxide1a,7a-Dihydronaphth[2,3-b]oxirene-2,7-dione2,3-dihydro-2,3-epoxy-1,4-naphthoquinoneE8NKL52TS6NCIOpen2_001666SCHEMBL3367182CHEMBL1492909

Datenbank-Bezeichner

CAS: 15448-58-5
PubChem CID: 85844
DTXSID: DTXSID20934994
ChEMBL: CHEMBL1492909
UNII: E8NKL52TS6
EC Number: 239-465-1
Nikkaji: J218.432J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 46,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 13
Formalladung: 0
Komplexität: 256

Physikochemische Eigenschaften

Schmelzpunkt: 133 · 133-134 °C
Siedepunkt: 377.8 · 377.8±42.0 °C(Predicted)
Dichte: 1.462 · 1.462±0.06 g/cm3(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.