(1,1'-Biphenyl)-3,4-dicarboxylic acid (CED0047822)

Record Information
Version1.0
Creation Date2026-04-04 01:40:05 UTC
Update Date2026-04-04 01:40:05 UTC
Accession NumberCHEM070246
Identification
Common Name(1,1'-Biphenyl)-3,4-dicarboxylic acid
ClassSmall Molecule
Description
(1,1'-Biphenyl)-3,4-dicarboxylic acid is an organic compound with the chemical formula C14H10O4 and an average molecular weight of 242.23 g/mol. (1,1'-Biphenyl)-3,4-dicarboxylic acid belongs to the biphenyls and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. Within the chemical classification system, it is further categorized under the superclass of benzenoids. This compound is associated with one recorded source: electrical and electronic equipment, specifically thin magnetic films.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC14H10O4
Average Molecular Mass242.230 g/mol
Monoisotopic Mass242.058 g/mol
CAS Registry Number4445-58-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESOC(=O)C1=C(C=C(C=C1)C1=CC=CC=C1)C(O)=O
InChI IdentifierInChI=1S/C14H10O4/c15-13(16)11-7-6-10(8-12(11)14(17)18)9-4-2-1-3-5-9/h1-8H,(H,15,16)(H,17,18)
InChI KeyYYEWRNLQOAIQDL-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2754.0Log mg/kg[1500:4900]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
538Thin Magnetic FilmsElectrical & Electronic EquipmentNot Available
579Manufacture Of Iron Or SteelIndustrial manufacturing & chemical processingNot Available
581Paper Making MachinesIndustrial manufacturing & chemical processingNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureComplement factor DP32038Rattus norvegicusPredicted (SEA)0.0778492
Click to view 3D structureS-sulfocysteine synthaseQ79FV4Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)2.49118
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)81.5081
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)72.789
p-hydroxybenzoate hydroxylase structureClick to view 3D structurep-hydroxybenzoate hydroxylaseP00438Pseudomonas fluorescensPredicted (SEA)4.5931
Aldo-keto reductase family 1 member C2 structureClick to view 3D structureAldo-keto reductase family 1 member C2P52895HumansPredicted (SEA)9.26406
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)80.4961
Nicotinate phosphoribosyltransferase structureClick to view 3D structureNicotinate phosphoribosyltransferaseQ6XQN6HumansPredicted (SEA)0.544945
Hepatocyte nuclear factor 4-alpha structureClick to view 3D structureHepatocyte nuclear factor 4-alphaP41235HumansPredicted (SEA)1.32344
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)106.731
Serine/threonine-protein kinase pim-1 structureClick to view 3D structureSerine/threonine-protein kinase pim-1P11309HumansPredicted (SEA)310.541
Aldo-keto reductase family 1 member C1 structureClick to view 3D structureAldo-keto reductase family 1 member C1Q04828HumansPredicted (SEA)5.52729
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)188.862
Click to view 3D structureReplication protein E1P04014human papillomavirus 11Predicted (SEA)2.17978
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)447.633
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansPredicted (SEA)377.413
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)29.5827
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)28.8042
Matrix metalloproteinase-14 structureClick to view 3D structureMatrix metalloproteinase-14P50281HumansPredicted (SEA)113.348
Click to view 3D structureProstaglandin G/H synthase 1P05979Ovis ariesPredicted (SEA)20.7857
cAMP-dependent protein kinase catalytic subunit alpha structureClick to view 3D structurecAMP-dependent protein kinase catalytic subunit alphaP17612HumansPredicted (SEA)314.433
Rho-associated protein kinase 2 structureClick to view 3D structureRho-associated protein kinase 2O75116HumansPredicted (SEA)367.604
Interleukin-1 receptor-associated kinase 4 structureClick to view 3D structureInterleukin-1 receptor-associated kinase 4Q9NWZ3HumansPredicted (SEA)314.589
Calcium/calmodulin-dependent protein kinase kinase 2 structureClick to view 3D structureCalcium/calmodulin-dependent protein kinase kinase 2Q96RR4HumansPredicted (SEA)108.833
Serine racemase structureClick to view 3D structureSerine racemaseQ9GZT4HumansPredicted (SEA)6.30579
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available