Basic information
- CAS
63020-48-4- Standard SMILES
CC(C)c1ccc2cc3c(ccc4ccccc43)cc2c1- InChIKey
PPSSWZLVDPGSQP-UHFFFAOYSA-N- Molecular formula
- C21H18
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.14085057
Names & identifiers
- Preferred name
- BENZ(a)ANTHRACENE, 9-ISOPROPYL-
- IUPAC
- 9-propan-2-ylbenzo[a]anthracene
- English name
- 6-ISOPROPYL-1,2-BENZANTHRACENE
- Molecular formula
- C21H18
- Molecular weight
- 270.37
Names & synonyms
BENZ(a)ANTHRACENE, 9-ISOPROPYL-63020-48-49-Isopropylbenz(a)anthraceneBRN 25251926-Isopropyl-1:2-benzanthracene9-(PROPAN-2-YL)TETRAPHENE9-Isopropyltetraphen6-Isopropyl-1,2-benzanthracenDTXSID902122919-Isopropylbenz[a]anthracene6-ISOPROPYL-1,2-BENZANTHRACENEBenz[a]anthracene, 9-(1-methylethyl)-
Database identifiers
- CAS
63020-48-4- PubChem CID
- 44314
- DTXSID
DTXSID90212291- Nikkaji
- J73.226E
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 357
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Physicochemical properties
- Melting point
- 131 · 131-132 °C
- Boiling point
- 480.48 °C · 480.48°C (rough estimate)
- Density
- 1.0691 · 1.0691 (estimate)
- refractive index
- 1.712 · 1.7120 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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