Indene oxide

HCID 92838CAS 768-22-9

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Basic information

Standard SMILES: c1ccc2c(c1)CC1OC21
InChIKey: UKGCFMYYDATGNN-UHFFFAOYSA-N
Molecular formula: C9H8O
Average molar mass: 132.16 g/mol
Monoisotopic mass: 132.05751488

Names & identifiers

Preferred name: Indene oxide
IUPAC: 6,6a-dihydro-1aH-indeno[1,2-b]oxirene
English name: Indene oxide
Molecular formula: C9H8O
Molecular weight: 132.16

Names & synonyms

Indene oxide1,2-epoxyindanUNII-080U5Q5IYI080U5Q5IYINSC 31261NSC-31261AI3-05988J313.589F1,2-EPOXY-2,3-DIHYDROINDENERefChem:148114UKGCFMYYDATGNN-UHFFFAOYSA-N768-22-9

Show more names

INDANEPOXIDEINDONAPHTHENE OXIDE2,3-Dihydro-2,3-epoxy-1H-indene1a,6a-Dihydro-6H-indeno[1,2-b]oxirene6H-Indeno[1,2-b]oxirene, 1a,6a-dihydro-6,6A-DIHYDRO-1AH-1-OXA-CYCLOPROPA[A]INDENE

6,6a-Dihydro-1ah-indeno[1,2-b]oxireneIndene epoxideIndan, epoxideIndene-1,2-oxideIndan, 1,2-epoxy-6H-Indeno[1,2-b]oxirene,1a,6a-dihydro-MFCD000468701H-Indene, 1,2-epoxy-2,3-dihydro-

Database identifiers

CAS: 768-22-9
PubChem CID: 92838
DTXSID: DTXSID30871806
ChEMBL: CHEMBL170741
UNII: 080U5Q5IYI
EC Number: 985-490-2
Nikkaji: J313.589F

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 155

Physicochemical properties

Melting point: 24.5 °C · 24.5°C
Boiling point: 184.08 °C · 184.08°C (rough estimate)
Density: 1.1255 · 1.1255
refractive index: 1.561 · 1.5610 (estimate)
FDA UNII: 80 U5Q5IYI · 080U5Q5IYI

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.