1-Methylbenz(a)anthracene
Basic information
- CAS
2498-77-3- Standard SMILES
Cc1cccc2ccc3cc4ccccc4cc3c12- InChIKey
MWMBCXXTFFHALK-UHFFFAOYSA-N- Molecular formula
- C19H14
- Average molar mass
- 242.3 g/mol
- Monoisotopic mass
- 242.10955045
Names & identifiers
- Preferred name
- 1-Methylbenz(a)anthracene
- IUPAC
- 1-methylbenzo[a]anthracene
- English name
- 1-Methylbenzo(a)anthracene
- Molecular formula
- C19H14
- Molecular weight
- 242.31
Names & synonyms
2498-77-31-Methylbenz[a]anthracene1-METHYLBENZ(A)ANTHRACENEBenz(a)anthracene, 1-methyl-Benz[a]anthracene, 1-methyl-DTXSID501796994K7797O3V41-methylbenzanthraceneRefChem:76367DTXCID60102190681-932-01-METHYLTETRAPHENE
Show more names
1-methyl-benz(a)anthracen1’-methyl-1,2-benzanthracene1-Methylbenz[a]anthracene in toluene20727, 1-Methylbenz[a]anthracene (purity )
1-Methylbenzo(a)anthracene1-Methylbenzo[a]anthracene1-Methyl-1,2-benzanthracene1'-Methyl-1,2-benzanthracene1-Methylbenz[a]anthracene-d31-METHYLBENZ (a) ANTHRACENE (purity)1794971-02-01-Monomethylbenz[a]anthracene
Database identifiers
- CAS
2498-77-3- PubChem CID
- 17256
- DTXSID
DTXSID50179699- ChEMBL
CHEMBL3215310- UNII
- 4K7797O3V4
- EC Number
- 681-932-0
- Nikkaji
- J35.562C
Properties
Computed structural properties
- XLogP
- 6.3
- 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
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Physicochemical properties
- Melting point
- 139 °C · 139°C
- Boiling point
- 452.14 °C · 452.14°C (rough estimate)
- Density
- 1.1011 · 1.1011 (estimate)
- refractive index
- 1.748 · 1.7480 (estimate)
- storage temp.
- 2 · 2-8°C
- Water Solubility
- 55 ug/L · 55ug/L(27 ºC)
- BRN
- 2098160 · 2098160
- FDA UNII
- 4 K7797O3V4 · 4K7797O3V4
- Hazard statements
- 413 · H413
- Precautionary statements
- 273 · P273
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H371 (92.3%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]
P260, P264, P270, P308+P316, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 13 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSTOT SE 2 (92.3%)
Safety data
- Hazard statements
- H413
- Precautionary statements
- P273
Chemistry & industry
Applications
Uses1-Methylbenz[a]anthracene is a monomethylated polycyclic aromatic hydrocarbon with carcinogenic activity.
Suppliers
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Related reactions
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Compound notes
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