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Basic information
- CAS
2422-79-9- Standard SMILES
Cc1c2ccccc2cc2ccc3ccccc3c12- InChIKey
ACYOLKMEHHTLAB-UHFFFAOYSA-N- Molecular formula
- C19H14
- Average molar mass
- 242.3 g/mol
- Monoisotopic mass
- 242.10955045
Names & identifiers
- Preferred name
- 12-Methylbenz(a)anthracene
- IUPAC
- 12-methylbenzo[a]anthracene
- English name
- 12-Methylbenz[a]anthracene.
- Molecular formula
- C19H14
- Molecular weight
- 242.31
Names & synonyms
12-Methylbenz(a)anthracene2422-79-912-Methylbenzanthracene12-Methylbenz[a]anthraceneBenz(a)anthracene, 12-methyl-Benz[a]anthracene, 12-methyl-NSC 4094608F95087GC8NSC-409460RefChem:782499-Methyl-1,2-benzanthracene12-METHYLTETRAPHENE
Show more names
12-Methylbenz[a]anthracene.
12-Methylbenz[a]anthrancene12-Methylbenzo[a]anthraceneBenz[a]anthracene,12-methyl-12-Methylbenz(a)anthranceneCCRIS 1533HSDB 4055BRN 1872267DTXSID2074829
Database identifiers
- CAS
2422-79-9- PubChem CID
- 17026
- DTXSID
DTXSID2074829- ChEMBL
CHEMBL1797284- UNII
- 8F95087GC8
- Nikkaji
- J35.571B
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Melting point
- 140 °C · 140°C
- Boiling point
- 452.14 °C · 452.14°C (rough estimate)
- Density
- 1.1011 · 1.1011 (estimate)
- refractive index
- 1.748 · 1.7480 (estimate)
- Henry's Law Constant
- 5.2 · 5.2×100 mol/(m3Pa) at 25℃, HSDB (2015)
- FDA UNII
- 8 F95087GC8 · 8F95087GC8
- EPA Substance Registry System
- 12 · 12-Methylbenz[a]anthrancene (2422-79-9)
- Hazardous Substances Data
- 2422 · 2422-79-9(Hazardous Substances Data)
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
- Hazardous Substances Data
- 2422-79-9(Hazardous Substances Data)
Chemistry & industry
Applications
Uses12-Methylbenz[a]anthracene is a monomethylated polycyclic aromatic hydrocarbon with carcinogenic activity.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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