{"ymdb_id":"YMDB16063","created_at":"2016-08-03T23:52:38.000Z","updated_at":"2016-09-12T20:56:04.000Z","name":"P-Dichlorobenzene","cas":null,"state":"Solid","melting_point":null,"description":"1,4-Dichlorobenzene (p-DCB, para-dichlorobenzene) is an organic compound with the formula C6H4Cl2. This colorless solid has a strong odor. In terms of its structure, the molecule consists of two chlorine atoms substituted for hydrogen at opposing sites on a benzene ring. p-DCB is used a pesticide and a deodorant, most familiarly in mothballs in which it is a replacement for the more traditional naphthalene. p-DCB is also used as a precursor in the production of the polymer poly(p-phenylene sulfide).","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"1,4-dichlorobenzene","traditional_iupac":"paradi","logp":"3.181335168666666","pka":null,"alogps_solubility":"1.38e-01 g/l","alogps_logp":"3.46","alogps_logs":"-3.03","acceptor_count":"0","donor_count":"0","rotatable_bond_count":"0","polar_surface_area":"0.0","refractivity":"35.6676","polarizability":"13.32049784528347","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":null,"pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":[],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":19845354,"citation":"Robinson AL, Ebeler SE, Heymann H, Boss PK, Solomon PS, Trengove RD. (2009). \"Interactions between wine volatile compounds and grape and wine matrix components influence aroma compound headspace partitioning.\" J Agric Food Chem. 2009 Nov 11;57(21):10313-22."}],"proteins":[]}