Compound: Benz[a]anthracene
SMILES: c12c3c(ccc1cc4ccccc4c2)cccc3
InChIKey: DXBHBZVCASKNBY-UHFFFAOYSA-N
Synonyms: Benz[a]anthracene, Tetraphene, 56-55-3, 1,2-Benzanthracene, Benzo[a]anthracene, Benzanthracene, Benzanthrene, BENZ(A)ANTHRACENE, Benzoanthracene, Naphthanthracene, 2,3-Benzophenanthrene, 2,3-Benzphenanthrene, Benzo(a)anthracene, 1,2-Benzanthrene, Benzo(b)phenanthrene, 1,2-Benzoanthracene, 1,2-Benzanthrazen, Benzo[b]phenanthrene, 1,2-Benz(a)anthracene, NSC 30970, DTXSID5023902, 1,2-Benz[a]anthracene, C5PLF6152K, CHEBI:51348, AI3-50599, NSC-30970, DTXCID903902, NSC30970, Benz(b)phenanthrene, RefChem:29641, 200-280-6, RCRA waste number U018, MFCD00003599, Benzo[a]fluoranthene solution, BENZ (a) ANTHRACENE (purity), Benz[a]anthracene,1,2-Benzanthracene, 1,2-Benzanthracene, Benz[a]anthracene, 1,2-Benzanthracene; Benz[a]anthracene, CAS-56-55-3, CCRIS 69, 1,2-Benzanthrazen [German], HSDB 4003, EINECS 200-280-6, RCRA waste no. U018, UNII-C5PLF6152K, Benzo (a) anthrancene, Benz[a]anthracene, 99%, Epitope ID:119714, SCHEMBL22972, SCHEMBL55324, SCHEMBL70329, BIDD:ER0540, SCHEMBL394160, SCHEMBL398847, SCHEMBL525913, orb3028075, SCHEMBL1168013, SCHEMBL1168307, SCHEMBL1168422, SCHEMBL1901239, SCHEMBL6552445, CHEMBL1873684, SCHEMBL12474905, SCHEMBL17063432, SCHEMBL17063434, SCHEMBL17103144, SCHEMBL29352401, SCHEMBL29362929, SCHEMBL30384949, WLN: L D6 B666J, BENZ(A)ANTHRACENE [HSDB], BENZ(A)ANTHRACENE [IARC], MSK4304, 1,2-BENZANTHRACENE [MI], Tox21_202060, Tox21_300499, SBB061394, AKOS008901282, Benz[a]anthracene, analytical standard, CS-W012994, FB16101, NCGC00164242-01, NCGC00164242-02, NCGC00164242-03, NCGC00164242-04, NCGC00254419-01, NCGC00259609-01, SY051558, B0017, Benz[a]anthracene 10 Axg/mL in Acetonitrile, Benz[a]anthracene 10 Axg/mL in Cyclohexane, NS00010721, ST45022240, Benz[a]anthracene 100 Axg/mL in Acetonitrile, Benz[a]anthracene 10 microg/mL in Acetonitrile, Benz[a]anthracene 10 microg/mL in Cyclohexane, H11746, Benz[a]anthracene 100 microg/mL in Acetonitrile, Q2442512, 805 - Polycyclic Aromatic Hydrocarbons (4 EU markers), Benz[a]anthracene, BCR(R) certified Reference Material, Benz[a]anthracene, certified reference material, TraceCERT(R)
Theoretical properties:
molecular_formula: C18H12
molecular_weight: 228.3 g/mol
exact_mass: 228.093900383 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 0
heavy_atom_count: 18
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Plates from glacial acetic acid or alcohol
color: Plates from glacial acetic acid or alcohol
boiling_point: 815 °F at 760 mmHg (sublimes) (NTP, 1992)
melting_point: 315 to 318 °F (NTP, 1992)
density: Relative density (water = 1): 1.274
solubility: less than 1 mg/mL at 68 °F (NTP, 1992)
vapor_pressure: 0.00000021 [mmHg]
Descriptions:
pubchem: Benz[a]anthracene can cause cancer according to an independent committee of scientific and health experts.
chebi: An angular <em>ortho</em>-fused polycyclic arene consisting of four fused benzene rings.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Benz[a]anthracene or benzo[a]anthracene is a polycyclic aromatic hydrocarbon with the chemical formula C18H12. It is produced during incomplete combustion of organic matter.
Benz[a]anthracene is one of carcinogenic constituents of tobacco smoke.