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Pyrocatechol

Names Preferred IUPAC nameBenzene-1,2-diolOther names Pyrocatechol1,2-Benzenediol2-Hydroxyphenol1,2-Dihydroxybenzeneo-Benzenediolo-DihydroxybenzeneIdentifiers CAS Number120-80-93D model (JSmol)Interactive imageBeilstein Reference471401 ChEBICHEBI:18135ChEMBLChEMBL280998ChemSpider13837760DrugBankDB02232ECHA InfoCard100.004.025EC Number204-427-5Gmelin Reference2936 KEGGC00090PubChemCID289RTECS numberUX1050000UNIILF3AJ089DQCompTox Dashboard(EPA)DTXSID3020257InChIInChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8HKey: YCIMNLLNPGFGHC-UHFFFAOYSA-NSMILESOc1c(O)cccc1Properties Chemical formulaC6H6O2Molar mass110.112 g·mol Appearance white to brown feathery crystals Odorfaint, phenolic odor Density1.344 g/cm, solid Melting point105 °C (221 °F; 378 K) Boiling point245.5 °C (473.9 °F; 518.6 K) (sublimes) Solubility in water312 g/L at 20 °C Solubilityvery soluble in pyridine soluble in chloroform, benzene, CCl4, ether, ethyl acetatelog P0.88 Vapor pressure20 Pa (20 °C) Acidity (pKa) 9.45, 12.8 Magnetic susceptibility (χ)−6.876×10 cm/molRefractive index (nD)1.604 Dipole moment2.62±0.03 DStructure Crystal structuremonoclinic Thermochemistry Std enthalpy offormation(ΔfH298)−354.1 kJ·mol Enthalpy of fusion(ΔfHfus)22.8 kJ·mol (at melting point) Hazards GHS labelling: PictogramsSignal wordDangerHazard statementsH301, H311, H315, H317, H318, H332, H341Precautionary statementsP261, P301, P302, P305, P310, P312, P330, P331, P338, P351, P352NFPA 704 (fire diamond) 310Flash point127 °C (261 °F; 400 K) Autoignitiontemperature510 °C (950 °F; 783 K) Explosive limits1.4%–?

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