(3,5-difluorophenyl)methanol (CED0066608)

Record Information
Version1.0
Creation Date2026-08-24 04:58:10 UTC
Update Date2026-08-24 04:58:10 UTC
Accession NumberCHEM244133
Identification
Common Name(3,5-difluorophenyl)methanol
ClassSmall Molecule
Description
(3,5-difluorophenyl)methanol belongs to the benzyl alcohols, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C7H6F2O and an average molecular weight of 144.12 g/mol. It has been identified in or released from one recorded source: Electrical & Electronic Equipment (Emergency Protective Devices).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC7H6F2O
Average Molecular Mass144.120 g/mol
Monoisotopic Mass144.039 g/mol
CAS Registry Number79538-20-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C7H6F2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2
InChI KeyLOGIHEKXJKHXEC-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
371.0Log mg/kg[210:660]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
520Emergency Protective DevicesElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureCarboxylesterase/lipase Culp6O53581Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)28.5707
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)1554.88
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)782.54
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)315.756
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)560.359
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)1858.03
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)785.81
Click to view 3D structureCytosolic carboxypeptidase 2Q5U5Z8HumansPredicted (SEA)38.5354
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)2753.37
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)1490.03
Alanine--glyoxylate aminotransferase structureClick to view 3D structureAlanine--glyoxylate aminotransferaseP21549HumansPredicted (SEA)31.7625
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)3800.6
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)2948.54
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)4319.15
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)4607.19
Click to view 3D structureCarbonic anhydrase 2Q3I4V7Cryptococcus neoformansPredicted (SEA)565.652
Click to view 3D structureAldehyde dehydrogenase, cytosolic 1P13601Rattus norvegicusPredicted (SEA)6.77288
Click to view 3D structureThioredoxin reductase 2, mitochondrialQ9Z0J5Rattus norvegicusPredicted (SEA)4.5931
Click to view 3D structureCarbonic anhydrase 13Q9D6N1Mus musculusPredicted (SEA)655.724
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)1756.28
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)5856.6
Tyrosinase structureClick to view 3D structureTyrosinaseP14679HumansPredicted (SEA)145.344
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)2357.74
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)3750.0
Click to view 3D structureNicotinamide phosphoribosyltransferaseQ80Z29Rattus norvegicusPredicted (SEA)218.912
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available