Compound: PYRENE
SMILES: c12c3c4ccc1cccc2ccc3ccc4
InChIKey: BBEAQIROQSPTKN-UHFFFAOYSA-N
Synonyms: PYRENE, 129-00-0, Benzo[def]phenanthrene, Pyren, beta-Pyrene, Benzo(def)phenanthrene, NSC 17534, 9E0T7WFW93, DTXSID3024289, CHEBI:39106, AI3-23977, NSC-17534, NSC-66449, DTXCID804289, NSC17534, RefChem:6184, benzo(d,e,f)phenanthrene, 204-927-3, .beta.-Pyrene, Pyrene-13C6, MFCD00004136, 1346601-04-4, CHEMBL279564, Coal tar pitch volatiles:pyrene, Pyrene sublimed grade, NCGC00090910-03, Pyren [German], PYRENE (purity), CCRIS 1256, HSDB 4023, Pyrene[def]phenanthrene, EINECS 204-927-3, Pyrene; Benzo[def]phenanthrene; NSC 17534; NSC 66449, UNII-9E0T7WFW93, Pyrene, Powder, Coal tar pitch volatiles: pyrene, Pyrene 10 microg/mL in Cyclohexane, Pyren(GERMAN), Pyrene 10 microg/mL in Acetonitrile, Pyrene 100 microg/mL in Acetonitrile, Pyrene, 98%, PYRENE [HSDB], PYRENE [IARC], {Benzo[def]phenanthrene}, PYRENE [MI], Epitope ID:119715, EC 204-927-3, Pyrene, analytical standard, Pyrene, crystalline, 95%, SCHEMBL9130, Pyrene (ACD/Name 4.0), SCHEMBL23972, SCHEMBL24630, SCHEMBL25424, SCHEMBL70075, BIDD:ER0347, SCHEMBL152947, SCHEMBL510450, SCHEMBL578387, SCHEMBL617289, Pyrene, sublimed grade, 99%, orb2664845, orb3025145, SCHEMBL1046484, SCHEMBL2408200, SCHEMBL2408326, SCHEMBL2409845, SCHEMBL2410135, SCHEMBL2410149, SCHEMBL2411872, SCHEMBL2413958, SCHEMBL2414059, SCHEMBL20678502, SCHEMBL20678505, SCHEMBL29429699, Pyrene (purified by sublimation), MSK4316, HMS3749I11, CS-B1735, NSC66449, WDC60104, WLN: L666 B6 2AB PJ, Tox21_400063, BDBM50214608, EBC-03617, SBB041054, STL570454, AKOS000269680, FP09978, NCGC00090910-01, NCGC00090910-02, NCGC00090910-04, AS-13613, CAS-129-00-0, HY-103609, NS00010701, P1104, P2072, Pyrene, BCR(R) certified Reference Material, ST50214713, EN300-174930, AB-131/40897138, F449367, Pyrene, purum, for fluorescence, >=97.0% (GC), Q415723, Benzo[def]phenanthrene, NSC 17534, NSC 66449, Pyrene, certified reference material, TraceCERT(R), Z57901968, Pyrene, puriss. p.a., for fluorescence, >=99.0% (GC), 8P0, InChI=1/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10
Theoretical properties:
molecular_formula: C16H10
molecular_weight: 202.25 g/mol
exact_mass: 202.078250319 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 0
heavy_atom_count: 16
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Monoclinic prismatic tablets from alcohol or by sublimation; pure pyrene is colorless
color: Monoclinic prismatic tablets from alcohol or by sublimation; pure pyrene is colorless
boiling_point: 759 °F at 760 mmHg (EPA, 1998)
melting_point: 313 °F (EPA, 1998)
density: 1.27 at 73.4 °F (EPA, 1998) - Denser than water; will sink
solubility: less than 1 mg/mL at 72 °F (NTP, 1992)
flash_point: >200.0 °C (>392.0 °F)
vapor_pressure: 2.6 mmHg at 392.7 °F ; 6.90 mmHg at 429.4 °F (NTP, 1992)
Descriptions:
pubchem: Pyrene is an ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system. It has a role as a fluorescent probe and a persistent organic pollutant.
chebi: An <em>ortho</em>- and <em>peri</em>-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system.
chembl: PYRENE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Pyrene is a polycyclic aromatic hydrocarbon (PAH) with the formula C16H10. Consisting of four fused benzene rings, it in a flat aromatic compound.  This colorless compound is the smallest peri-fused PAH (one where the rings are fused through more than one face).  Pyrene forms during incomplete combustion of organic compounds.