Compound: BENZOPHENONE
SMILES: O=C(c1ccccc1)c2ccccc2
InChIKey: RWCCWEUUXYIKHB-UHFFFAOYSA-N
Synonyms: BENZOPHENONE, 119-61-9, diphenylmethanone, Diphenyl ketone, Benzoylbenzene, Methanone, diphenyl-, Phenyl ketone, alpha-Oxoditane, Ketone, diphenyl, Diphenylketone, Benzene, benzoyl-, alpha-Oxodiphenylmethane, Kayacure bp, Adjutan 6016, Caswell No. 081G, FEMA No. 2134, DTXSID0021961, NSC 8077, CCRIS 629, EPA Pesticide Chemical Code 000315, 701M4TTV9O, CHEBI:41308, AI3-00754, NSC-8077, DTXCID101961, RefChem:916948, 204-337-6, diphenyl-methanone, .alpha.-Oxoditane, .alpha.-Oxodiphenylmethane, Diphenyl-methanon, 1dzp, MFCD00003076, CHEMBL90039, Diphenylmethanone (Benzophenone), NCGC00090787-05, CAS-119-61-9, HSDB 6809, WLN: RVR, EINECS 204-337-6, BENZOPHENONE (8CI), phenylketone, UNII-701M4TTV9O, Benzopheneone, Benzophenon, benzophenone-, benzoyl-benzene, a-Oxoditane, meta-benzophenone, alpha -oxoditane, Benzophenone CRS, FEMA 2134, di(phenyl)methanone, a-Oxodiphenylmethane, METHANONE, DIPHENYL- (9CI), Phenytoin Impurity 7, Benzophenone (NIST), Ph2CO, SPEEDCURE BP, DAROCUR BP, Diphenylmethanone, 9CI, Benzophenone (Standard), alpha -oxodiphenylmethane, Dimenhydrinate Impurity J, BENZOPHENONE [MI], BENZOPHENONE [FCC], UPCMLD-DP071, BENZOPHENONE [FHFI], BENZOPHENONE [HSDB], BENZOPHENONE [IARC], EC 204-337-6, BIDD:PXR0008, Epitope ID:1309330, SCHEMBL17745, MLS001055400, ADK STAB 1413, BENZOPHENONE [USP-RS], BENZOPHENONE [WHO-DD], BIDD:ER0022, SCHEMBL143892, SCHEMBL144448, SCHEMBL218652, SCHEMBL315777, SCHEMBL935197, Benzophenone (diphenyl-ketone), orb3025871, SCHEMBL1260294, SCHEMBL1535886, SCHEMBL4623115, SCHEMBL4623242, SCHEMBL4852695, SCHEMBL9337568, Benzophenone (Diphenylmethanone), SCHEMBL12275650, SCHEMBL12276664, SCHEMBL14480518, UPCMLD-DP071:001, BDBM22726, Benzophenone, analytical standard, DIPHENHYDRAMINE IMPURITY E, HY-Y0546R, MSK3431, NSC8077, PDK0033, HMS2268A24, HMS5086D10, BENZOPHENONE [USP IMPURITY], Benzophenone, >=99%, FCC, FG, HY-Y0546, Tox21_113465, Tox21_202425, Tox21_300058, Benzophenone, ReagentPlus(R), 99%, EBC-03500, MSK3431-100M, s4438, SBB040865, STL363250, Benzophenone, for synthesis, 98.0%, AKOS000119029, Tox21_113465_1, BENZOPHENONE  (DIPHENYL-KETONE), DB01878, FB34691, Benzophenone, purum, >=99.0% (GC), Benzophenone, ReagentPlus(R), >=99%, NCGC00090787-01, NCGC00090787-03, NCGC00090787-04, NCGC00090787-06, NCGC00090787-07, NCGC00090787-08, NCGC00254183-01, NCGC00259974-01, BP-21212, SMR000112143, PHENYTOIN IMPURITY A [EP IMPURITY], Benzophenone(Discontinued,See C4X-18647), Benzophenone, SAJ first grade, >=99.0%, DB-061602, B0083, Benzophenone Solution in Methanol, 100ug/mL, CS-0015323, NS00010632, ST50214455, Benzophenone, purified by sublimation, >=99%, Benzophenone, Vetec(TM) reagent grade, 98%, EN300-19181, C06354, D72506, DIMENHYDRINATE IMPURITY J [EP IMPURITY], SBI-0647371.0001, F053327, PHENYTOIN SODIUM IMPURITY A [EP IMPURITY], Q409482, Melting point standard 47-49C, analytical standard, PHENYTOIN IMPURITY BENZOPHENONE [USP IMPURITY], F0001-0309, Z104473064, Benzophenone, European Pharmacopoeia (EP) Reference Standard, DIPHENHYDRAMINE HYDROCHLORIDE IMPURITY E [EP IMPURITY], Mettler-Toledo Calibration substance ME 18870, Benzophenone, PHENYTOIN SODIUM IMPURITY BENZOPHENONE [USP IMPURITY], Benzophenone, United States Pharmacopeia (USP) Reference Standard, HYDROCODONE HYDROGEN TARTRATE 2.5-HYDRATE IMPURITY H [EP IMPURITY], Benzophenone, Pharmaceutical Secondary Standard; Certified Reference Material, Diphenhydramine EP Impurity E; Dimenhydrinate EP Impurity J; Phenytoin Sodium EP Impurity A, InChI=1/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10, Mettler-Toledo Calibration substance ME 18870, Benzophenone, for the calibration of the thermosystem 900, traceable to primary standards (LGC)
Theoretical properties:
molecular_formula: C13H10O
molecular_weight: 182.22 g/mol
exact_mass: 182.073164938 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 2
heavy_atom_count: 14
topological_polar_surface_area: 17.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Orthorhombic prisms from alcohol (alpha); monoclinic prisms (beta)
color: Orthorhombic prisms from alcohol (alpha); monoclinic prisms (beta)
odor: Geranium-like odor
boiling_point: 582.6 °F at 760 mmHg (NTP, 1992)
melting_point: alpha-118.6 °F; beta-79 °F; gamma-117 °F. (NTP, 1992)
density: 1.085 at 122 °F (USCG, 1999) - Denser than water; will sink
solubility: Insoluble (<1 mg/ml at 77 °F) (NTP, 1992)
flash_point: greater than 270 °F (USCG, 1999)
vapor_pressure: 0.00193 [mmHg]
Descriptions:
pubchem: Benzophenone can cause cancer according to California Labor Code.
chebi: The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups.
chembl: BENZOPHENONE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Benzophenone is a naturally occurring organic compound with the formula (C6H5)2CO, generally abbreviated Ph2CO. Benzophenone has been found in some fungi, fruits and plants, including grapes. It is a white solid with a low melting point and rose-like odor that is soluble in organic solvents. Benzophenone is the simplest diaromatic ketone. It is a widely used building block in organic chemistry, being the parent diarylketone.