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Acetonitrile

Names Preferred IUPAC nameAcetonitrileSystematic IUPAC nameEthanenitrileOther names CyanomethaneEthyl nitrileMethanecarbonitrileMethyl cyanideMeCNACNIdentifiers CAS Number75-05-83D model (JSmol)Interactive imageBeilstein Reference741857 ChEBICHEBI:38472ChEMBLChEMBL45211ChemSpider6102ECHA InfoCard100.000.760EC Number200-835-2Gmelin Reference895 MeSHacetonitrilePubChemCID6342RTECS numberAL7700000UNIIZ072SB282NUN number1648 CompTox Dashboard(EPA)DTXSID7020009InChIInChI=1S/C2H3N/c1-2-3/h1H3Key: WEVYAHXRMPXWCK-UHFFFAOYSA-NSMILESCC#NProperties Chemical formulaC2H3NMolar mass41.053 g·mol Appearance Colorless liquid Odorether-like (threshold 39.8 ppm) Density0.786 g/cmMelting point−46 to −44 °C; −51 to −47 °F; 227 to 229 K Boiling point81.3 to 82.1 °C; 178.2 to 179.7 °F; 354.4 to 355.2 K Critical point (T, P) 545 K (272 °C), 4.87 MPa Solubility in waterMiscible log P−0.54 Vapor pressure9.71 kPa (at 20 °C (68 °F; 293 K)) Henry's lawconstant (kH)530 μmol/(Pa·kg)Acidity (pKa) 25 UV-vis (λmax) 195 nmAbsorbance≤ 0.10 Magnetic susceptibility (χ)−28.0×10 cm/molRefractive index (nD)1.344 Viscosity0.350 mPa·s (20 °C (68 °F; 293 K)) Dipole moment3.92 DThermochemistry Heat capacity(C)91.69 J⋅K·molStd molarentropy(S298)149.62 J⋅K·molStd enthalpy offormation(ΔfH298)40.16 to 40.96 kJ⋅molStd enthalpy ofcombustion(ΔcH298)−1256.03 to −1256.63 kJ⋅molEnthalpy of fusion(ΔfHfus)8.167 kJ⋅mol (crystalline to liquid) Enthalpy of vaporization(ΔfHvap)33.225 kJ⋅mol (25 °C (77 °F; 298 K))29.75 kJ⋅mol (81.6 °C (178.9 °F; 354.8 K))Hazards GHS labelling: PictogramsSignal wordDangerHazard statementsH225, H302+H312+H332, H319Precautionary statementsP210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312+P330, P303+P361+P353, P304+P340+P312, P305+P351+P338, P337+P313, P370+P378, P403+P235, P501NFPA 704 (fire diamond) 230Flash point2.0 °C (35.6 °F; 275.1 K) Autoignitiontemperature523.0 °C (973.4 °F; 796.1 K) Explosive limits4.4%–16.0%Lethal dose or concentration (LD, LC): LD50 (median dose)2 g/kg (dermal, rabbit)2.46 g/kg (oral, rat)617 mg/kg (oral, mouse)LC50 (median concentration)5655 ppm (guinea pig, 4 hr)2828 ppm (rabbit, 4 hr)53,000 ppm (rat, 30 min)7500 ppm (rat, 8 hr)2693 ppm (mouse, 1 hr)6.022 mg/L (mouse, 4 hr)LCLo (lowest published)16,000 ppm (dog, 4 hr) NIOSH (US health exposure limits): PEL (Permissible)40 ppm (70 mg/m, TWA) REL (Recommended)20 ppm (34 mg/m, TWA) IDLH (Immediate danger)500 ppmRelated compounds Related alkanenitrilesHydrogen cyanideCyanogenCyanogen fluorideCyanogen chlorideCyanogen bromideCyanogen iodideThiocyanic acidAminoacetonitrileGlycolonitrilePropionitrileMalononitrilePivalonitrileAcetone cyanohydrinSupplementary data page Acetonitrile (data page)Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).Yverify ( ?)

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