1.0 2016-05-19 05:03:02 UTC 2026-08-25 04:56:53 UTC Benzene, 1-Chloro-2,5-dimethoxy- SmallMolecule Benzene, 1-Chloro-2,5-dimethoxy- is an organic compound with the formula C8H9ClO2 and an average molecular weight of 172.61 g/mol. Benzene, 1-Chloro-2,5-dimethoxy- belongs to the methoxybenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has been identified in two recorded sources: drinking water and water supply, as well as emergency protective devices within electrical and electronic equipment. The recorded route of exposure for this substance is oral. 1-chloro-2,5-dimethoxybenzene 2-chloro-1,4-dimethoxybenzene 2-Chloro-1,4-dimethoxybenzene C8H9ClO2 172.61 172.0291072 2-chloro-1,4-dimethoxybenzene 1,4-dimethoxy-2-chlorobenzene 2100-42-7 COC1=CC=C(OC)C(Cl)=C1 InChI=1S/C8H9ClO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3 QMXZSRVFIWACJH-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Methoxybenzenes Dimethoxybenzenes Alkyl aryl ethers Anisoles Aryl chlorides Chlorobenzenes Hydrocarbon derivatives Organochlorides Phenoxy compounds Alkyl aryl ether Anisole Aromatic homomonocyclic compound Aryl chloride Aryl halide Chlorobenzene Dimethoxybenzene Ether Halobenzene Hydrocarbon derivative Organic oxygen compound Organochloride Organohalogen compound Organooxygen compound P-dimethoxybenzene Phenol ether Phenoxy compound Aromatic homomonocyclic compounds Detected and Not Quantified logp 2.7 logp 2.77 ALOGPS logs -2.74 ALOGPS solubility 3.13e-01 g/l ALOGPS logp 2.26 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 2-chloro-1,4-dimethoxybenzene ChemAxon average_mass 172.61 ChemAxon mono_mass 172.0291072 ChemAxon smiles COC1=CC=C(OC)C(Cl)=C1 ChemAxon formula C8H9ClO2 ChemAxon inchi InChI=1S/C8H9ClO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3 ChemAxon inchikey QMXZSRVFIWACJH-UHFFFAOYSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 43.79 ChemAxon polarizability 16.85 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7281966540> 246724 215925