Compound: CHRYSENE
SMILES: c12c(c3c(cccc3)cc1)ccc4c2cccc4
InChIKey: WDECIBYCCFPHNR-UHFFFAOYSA-N
Synonyms: CHRYSENE, 218-01-9, Benzo[a]phenanthrene, 1,2-Benzophenanthrene, 1,2-Benzphenanthrene, 1,2,5,6-Dibenzonaphthalene, Benz(a)phenanthrene, Benzo(a)phenanthrene, Chrysen, Benz[a]phenanthrene, DTXSID0022432, 084HCM49PT, NSC-6175, DTXCID702432, CHEBI:51687, NSC6175, RefChem:5685, 205-923-4, RCRA waste number U050, MFCD00003698, ChryseneNSC 6175, CHEMBL85685, 65777-08-4, Chrysene, analytical standard, CHRYSENE (purity), RCRA waste no. U050, CCRIS 161, HSDB 2810, Coal tar pitch volatiles: chrysene, NSC 6175, EINECS 205-923-4, Chrysene (Standard), Chrysene 10 microg/mL in Cyclohexane, Chrysene, 95%, Chrysene, 98%, Chrysene 10 microg/mL in Acetonitrile, Chrysene 100 microg/mL in Acetonitrile, CHRYSENE [HSDB], CHRYSENE [IARC], AI3-00867, CHRYSENE [MI], (4)PHENACENE, 1,5,6-Dibenzonaphthalene, Benzo[a]phenanthrene (purified by sublimation), UNII-084HCM49PT, SCHEMBL27115, BIDD:ER0418, SCHEMBL235409, SCHEMBL510638, SCHEMBL534952, SCHEMBL534953, SCHEMBL534974, SCHEMBL534978, SCHEMBL535007, SCHEMBL578709, SCHEMBL969535, orb1308453, SCHEMBL2282037, SCHEMBL2405788, SCHEMBL2407276, SCHEMBL2407404, SCHEMBL2407762, SCHEMBL2408072, SCHEMBL2408406, SCHEMBL2408469, SCHEMBL2408501, SCHEMBL2408591, SCHEMBL2408906, SCHEMBL2409023, SCHEMBL2409141, SCHEMBL2409179, SCHEMBL2409576, SCHEMBL2409751, SCHEMBL2409772, SCHEMBL2409987, SCHEMBL2411049, SCHEMBL2411272, SCHEMBL2411341, SCHEMBL2412656, SCHEMBL2412691, SCHEMBL2412903, SCHEMBL2413446, SCHEMBL2413540, SCHEMBL2413546, SCHEMBL2442730, SCHEMBL2449579, SCHEMBL15644862, SCHEMBL29355502, SCHEMBL29792076, SCHEMBL30433768, WLN: L E6 B666J, MSK4309, Tox21_202548, BDBM50128870, SBB061281, AKOS015904682, FB15612, HY-121107R, NCGC00163986-01, NCGC00260097-01, AS-39344, CAS-218-01-9, SY048799, DB-011521, DB-043876, HY-121107, CS-0079473, NS00010720, ST45022230, Chrysene, BCR(R) certified Reference Material, Q415465, Chrysene, certified reference material, TraceCERT(R), 1,2-Benzophenanthrene, 1,2-Benzphenanthrene, Benzo[a]phenanthrene, NSC 6175, [4]Phenacene
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: Red blue fluorescent orthorhombic plates from benzene, acetic acid
color: Red blue fluorescent orthorhombic plates from benzene, acetic acid
boiling_point: 838 °F at 760 mmHg (NTP, 1992)
melting_point: 489 °F (NTP, 1992)
density: 1.274 at 68 °F (NTP, 1992) - Denser than water; will sink
solubility: Insoluble. (0.0018mg/kg) (NTP, 1992)
vapor_pressure: Vapor pressure: 6.3X10-7 mm Hg
Descriptions:
pubchem: Chrysene can cause cancer according to The Environmental Protection Agency (EPA).
chebi: An <em>ortho</em>-fused polycyclic arene found commonly in the coal tar.
chembl: CHRYSENE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Chrysene is a polycyclic aromatic hydrocarbon (PAH) with the molecular formula C18H12 that consists of four fused benzene rings.  It is a natural constituent of coal tar, from which it was first isolated and characterized.  It is also found in creosote at levels of 0.5–6 mg/kg.
The name "chrysene" originates from Greek Χρύσoς (chrysos), meaning "gold", and is due to the golden-yellow color of the crystals of the hydrocarbon, thought to be the proper color of the compound at the time of its isolation and characterization. However, high purity chrysene is colorless, the yellow hue being due to the traces of its yellow-orange isomer tetracene, which cannot be separated easily.