Basic information
- CAS
7505-62-6- Standard SMILES
O=Cc1c2ccccc2cc2c1ccc1ccccc12- InChIKey
PNJAZYMJSFCLFD-UHFFFAOYSA-N- Molecular formula
- C19H12O
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.088815
Names & identifiers
- Preferred name
- Benz(a)anthracene-7-carboxaldehyde
- IUPAC
- benzo[a]anthracene-7-carbaldehyde
- English name
- 7-Formylbenz(a)anthracene
- Molecular weight
- 0
Names & synonyms
7-Formylbenz(a)anthraceneBenz(a)anthracene-7-carboxaldehyde7-Formylbenz[a]anthraceneNSC 400556BRN 1877287benz[a]anthracene-7-carbaldehydeBenz[a]anthracene-7-carboxaldehydeDTXSID102260173-07-00-02806 (Beilstein Handbook Reference)benz(a)anthracene-7-carbaldehydeRefChem:117072DTXCID10148508
Show more names
PNJAZYMJSFCLFD-UHFFFAOYSA-N1,2-Benzanthracene-10-aldehyde7505-62-6TETRAPHENE-7-CARBALDEHYDETetraphen-7-aldehydNSC400556SCHEMBL10348819WLN: L D6 B666J JVH
Database identifiers
- CAS
7505-62-6- PubChem CID
- 82017
- DTXSID
DTXSID10226017- Nikkaji
- J35.518F
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Boiling point
- 359.54 °C · 359.54°C (rough estimate)
- Density
- 1.086 · 1.0860 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- Toxicity
- 1 nmol/plate · mmo-sat 1 nmol/plate DCTODJ 2,383,79
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 DCTODJ 2,383,79
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…