7-Benzanthryloxirane
Basic information
- CAS
61695-72-5- Standard SMILES
c1ccc2c(C3CO3)c3ccc4ccccc4c3cc2c1- InChIKey
CKLWGOVDWZSDQU-UHFFFAOYSA-N- Molecular formula
- C20H14O
- Average molar mass
- 270.3 g/mol
- Monoisotopic mass
- 270.10446507
Names & identifiers
- Preferred name
- 7-Benzanthryloxirane
- IUPAC
- 2-benzo[a]anthracen-7-yloxirane
- English name
- 7-BENZANTHRYLOXIRANE
- Molecular formula
- C20H14O
- Molecular weight
- 270.32
Names & synonyms
7-Benzanthryloxirane61695-72-5Oxirane, benz(a)anthracen-7-yl-7-(Epoxyethyl)-benz(a)anthraceneUNII-Z4TPT08JV0Z4TPT08JV0BENZ(a)ANTHRACENE, 7-(EPOXYETHYL)-NSC-178014Oxirane, benz[a]anthracen-7-yl-NSC 178014OXIRANE, 2-BENZ(A)ANTHRACEN-7-YL-RefChem:105814
Show more names
7-(Epoxyethyl)benz[a]anthraceneOxirane, 2-benz[a]anthracen-7-yl-
7-BENZANTHRYLOXIRANE, (+-)-NSC1780147-Benz[a]anthryloxiraneBenz[a]anthracene, 7-oxiranyl-DTXSID1010315207-BENZANTHRYLOXIRANE, (+/-)-DB-219948Q27294996
Database identifiers
- CAS
61695-72-5- PubChem CID
- 43719
- DTXSID
DTXSID101031520- UNII
- Z4TPT08JV0
- Nikkaji
- J73.215J
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 391
Physicochemical properties
- Boiling point
- 373.44 °C · 373.44°C (rough estimate)
- Density
- 1.0717 · 1.0717 (rough estimate)
- refractive index
- 1.67 · 1.6700 (estimate)
- FDA UNII
- 4 TPT08JV0 · Z4TPT08JV0
- Toxicity
- 1 nmol/plate · mmo-sat 1 nmol/plate CNREA8 38,3247,78
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- mmo-sat 1 nmol/plate CNREA8 38,3247,78
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Compound notes
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