Basic information
- CAS
63018-99-5- Standard SMILES
CCCCCc1cccc2cc3c(ccc4ccccc43)cc12- InChIKey
YRGQCRCSPPKSOL-UHFFFAOYSA-N- Molecular formula
- C23H22
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.1721507
Names & identifiers
- Preferred name
- BENZ(a)ANTHRACENE, 8-PENTYL-
- IUPAC
- 8-pentylbenzo[a]anthracene
- English name
- 8-Pentylbenz[a]anthracene
- Molecular formula
- C23H22
- Molecular weight
- 298.42
Names & synonyms
8-Pentylbenz[a]anthracene63018-99-5BENZ(a)ANTHRACENE, 8-PENTYL-8-Pentylbenz(a)anthraceneBenz[a]anthracene, 8-pentyl-8-pentyltetraphene5-n-Amyl-1:2-benzanthraceneBRN 2527223WD6KBH5BMT5-Amyl-l,2-benzanthracenBenz[a]anthracene, 8-amyl-3-05-00-02441 (Beilstein Handbook Reference)
Show more names
DTXSID50212257DB-318460
Database identifiers
- CAS
63018-99-5- PubChem CID
- 44276
- DTXSID
DTXSID50212257- UNII
- WD6KBH5BMT
- Nikkaji
- J73.191I
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 372
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Physicochemical properties
- Boiling point
- 506.83 °C · 506.83°C (rough estimate)
- Density
- 1.0445 · 1.0445 (estimate)
- refractive index
- 1.67 · 1.6700 (estimate)
- Toxicity
- 790 mg/kg/33W-I:ETA · TDLo skn-mus: 790 mg/kg/33W-I:ETA PRLBA4129,439,40
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
- TDLo skn-mus: 790 mg/kg/33W-I:ETA PRLBA4129,439,40
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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