1.0 2016-06-03 12:55:06 UTC 2026-08-22 14:00:00 UTC N,N'-(2-chloro-1,4-phenylene)bis[4-[(4-chloro-2-nitrophenyl)azo]-3-hydroxynaphthalene-2-carboxamide] SmallMolecule N,N'-(2-chloro-1,4-phenylene)bis[4-[(4-chloro-2-nitrophenyl)azo]-3-hydroxynaphthalene-2-carboxamide] belongs to the naphthalenecarboxylic acids and derivatives, a subclass of naphthalenes within the organic compounds. With an average molecular weight of 850.02 g/mol, N,N'-(2-chloro-1,4-phenylene)bis[4-[(4-chloro-2-nitrophenyl)azo]-3-hydroxynaphthalene-2-carboxamide] is a heavy molecule. It has the chemical formula C40H23Cl3N8O8 and is classified as a benzenoid. This compound is used as an industrial pigment. It has been recorded as being released from drinking water and water supplies, with oral exposure being the recorded route of exposure. C40H23Cl3N8O8 850.02 848.0704428 4-[2-(4-chloro-2-nitrophenyl)hydrazin-1-ylidene]-N-{2-chloro-4-[({4-[2-(4-chloro-2-nitrophenyl)hydrazin-1-ylidene]-3-oxo-3,4-dihydronaphthalen-2-yl}(hydroxy)methylidene)amino]phenyl}-3-oxo-3,4-dihydronaphthalene-2-carboximidic acid 4-[2-(4-chloro-2-nitrophenyl)hydrazin-1-ylidene]-N-{2-chloro-4-[({4-[2-(4-chloro-2-nitrophenyl)hydrazin-1-ylidene]-3-oxonaphthalen-2-yl}(hydroxy)methylidene)amino]phenyl}-3-oxonaphthalene-2-carboximidic acid 35869-64-8 OC(=NC1=CC(Cl)=C(C=C1)N=C(O)C1=CC2=CC=CC=C2C(=NNC2=C(C=C(Cl)C=C2)N(=O)=O)C1=O)C1=CC2=CC=CC=C2C(=NNC2=C(C=C(Cl)C=C2)N(=O)=O)C1=O InChI=1S/C40H23Cl3N8O8/c41-22-9-12-31(33(17-22)50(56)57)46-48-35-25-7-3-1-5-20(25)15-27(37(35)52)39(54)44-24-11-14-30(29(43)19-24)45-40(55)28-16-21-6-2-4-8-26(21)36(38(28)53)49-47-32-13-10-23(42)18-34(32)51(58)59/h1-19,46-47H,(H,44,54)(H,45,55) MEDUCLLDAABWSK-UHFFFAOYSA-N Organic compounds Benzenoids Naphthalenes Naphthalenecarboxylic acids and derivatives Naphthalenecarboxylic acids and derivatives Anilides Aryl chlorides Chlorobenzenes Cyclic ketones Hydrazones Hydrocarbon derivatives N-arylamides Nitroaromatic compounds Nitrobenzenes Organic oxides Organic oxoazanium compounds Organic zwitterions Organochlorides Organopnictogen compounds Phenylhydrazines Propargyl-type 1,3-dipolar organic compounds Secondary carboxylic acid amides 2-naphthalenecarboxylic acid or derivatives Allyl-type 1,3-dipolar organic compound Anilide Aromatic homopolycyclic compound Aryl chloride Aryl halide C-nitro compound Carbonyl group Carboxamide group Carboxylic acid derivative Chlorobenzene Cyclic ketone Halobenzene Hydrazone Hydrocarbon derivative Ketone Monocyclic benzene moiety N-arylamide Nitroaromatic compound Nitrobenzene Organic 1,3-dipolar compound Organic nitro compound Organic nitrogen compound Organic oxide Organic oxoazanium Organic oxygen compound Organic zwitterion Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylhydrazine Propargyl-type 1,3-dipolar organic compound Secondary carboxylic acid amide Aromatic homopolycyclic compounds Detected and Not Quantified logp 11.6 logp 5.92 ALOGPS logs -6.56 ALOGPS solubility 2.32e-04 g/l ALOGPS logp 12.54 ChemAxon pka_strongest_acidic 3.22 ChemAxon pka_strongest_basic 2.12 ChemAxon iupac 4-[2-(4-chloro-2-nitrophenyl)hydrazin-1-ylidene]-N-{2-chloro-4-[({4-[2-(4-chloro-2-nitrophenyl)hydrazin-1-ylidene]-3-oxo-3,4-dihydronaphthalen-2-yl}(hydroxy)methylidene)amino]phenyl}-3-oxo-3,4-dihydronaphthalene-2-carboximidic acid ChemAxon average_mass 850.02 ChemAxon mono_mass 848.0704428 ChemAxon smiles OC(=NC1=CC(Cl)=C(C=C1)N=C(O)C1=CC2=CC=CC=C2C(=NNC2=C(C=C(Cl)C=C2)N(=O)=O)C1=O)C1=CC2=CC=CC=C2C(=NNC2=C(C=C(Cl)C=C2)N(=O)=O)C1=O ChemAxon formula C40H23Cl3N8O8 ChemAxon inchi InChI=1S/C40H23Cl3N8O8/c41-22-9-12-31(33(17-22)50(56)57)46-48-35-25-7-3-1-5-20(25)15-27(37(35)52)39(54)44-24-11-14-30(29(43)19-24)45-40(55)28-16-21-6-2-4-8-26(21)36(38(28)53)49-47-32-13-10-23(42)18-34(32)51(58)59/h1-19,46-47H,(H,44,54)(H,45,55) ChemAxon inchikey MEDUCLLDAABWSK-UHFFFAOYSA-N ChemAxon polar_surface_area 239.74 ChemAxon refractivity 229.02 ChemAxon polarizability 84.66 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 14 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72793924f0> 136064473 21229985