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

HCID 85844

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Basic information

CAS: 15448-58-5
Standard SMILES: O=C1c2ccccc2C(=O)C2OC12
InChIKey: TVVRFUOKLKGUKT-UHFFFAOYSA-N
Molecular formula: C10H6O3
Average molar mass: 174.15 g/mol
Monoisotopic mass: 174.03169405

Names & identifiers

Preferred name: 2,3-Epoxy-2,3-dihydro-1,4-naphthoquinone
IUPAC: 1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione
English name: 1a,7a-Dihydronaphtho[2,3-b]oxirene-2,7-dione
Molecular formula: C10H6O3
Molecular weight: 174.15

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 46.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 256

Physicochemical properties

Melting point: 133 · 133-134 °C
Boiling point: 377.8 · 377.8±42.0 °C(Predicted)
Density: 1.462 · 1.462±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H302-H335-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2932990090 · 2932990090

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2932990090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
Hazard statements: H315-H302-H335-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501