Basic information
- CAS
16354-52-2- Standard SMILES
CCc1c2ccccc2c(CC)c2c1ccc1ccccc12- InChIKey
CIFPUMMYFBMFKK-UHFFFAOYSA-N- Molecular formula
- C22H20
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.15650064
Names & identifiers
- Preferred name
- Benz(a)anthracene, 7,12-diethyl-
- IUPAC
- 7,12-diethylbenzo[a]anthracene
- English name
- 7,12-DIETHYLBENZ(A)ANTHRACENE
- Molecular formula
- C22H20
- Molecular weight
- 284.39
Names & synonyms
Benz(a)anthracene, 7,12-diethyl-7,12-Diethylbenz[a]anthracene9,10-Diethyl-1,2-benzanthracene16354-52-27,12-Diethylbenz(a)anthraceneBenz[a]anthracene, 7,12-diethyl-CCRIS 15387,12-diethylbenzo[a]anthracene7,12-Diethylbenz(alpha)anthraceneBRN 33266097,12-DIETHYLTETRAPHENEKUM8HZ96VY
Show more names
SCHEMBL7629059DTXSID90167611CIFPUMMYFBMFKK-UHFFFAOYSA-N
Database identifiers
- CAS
16354-52-2- PubChem CID
- 85374
- DTXSID
DTXSID90167611- UNII
- KUM8HZ96VY
- Nikkaji
- J35.525I
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Melting point
- 98.5 · 98.5-99.5 °C
- Boiling point
- 493.89 °C · 493.89°C (rough estimate)
- Density
- 1.056 · 1.0560 (estimate)
- refractive index
- 1.677 · 1.6770 (estimate)
- FDA UNII
- 8 HZ96VY · KUM8HZ96VY
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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