Compound: ACETONITRILE
SMILES: N#CC
InChIKey: WEVYAHXRMPXWCK-UHFFFAOYSA-N
Synonyms: ACETONITRILE, 75-05-8, Methyl cyanide, Cyanomethane, Ethanenitrile, Ethyl nitrile, Methane, cyano-, Methanecarbonitrile, Acetonitril, Cyanure de methyl, Methylkyanid, USAF EK-488, MeCN, RCRA waste number U003, NCI-C60822, DTXSID7020009, AI3-00327, Z072SB282N, NSC-7593, DTXCID909, CHEBI:38472, RefChem:6609, 200-835-2, Methylkyanid [Czech], 148642-19-7, Cyanure de methyl [French], Acetonitril [German, Dutch], Acetonitrile, anhydrous, CH3CN, Acetonitrile with 0.1% ammonium acetate, MFCD00001878, ACETONITRILE WITH 0.1per cent AMMONIUM ACETATE, anhydrous Acetonitrile, ACETONITRILE (2-13C, 99%), Acetonitrile [UN1648]  [Flammable liquid], Acetonitrile(1,2-13c2), Acetonitril (GERMAN, DUTCH), Acetonitrile, for DNA synthesis, Acetonitrile-15n(8ci,9ci), acetnitrile, Ethanonitrile, Acetonitrile (anhydrous, 99.8%), CCN, HSDB 42, CCRIS 1628, NSC 7593, Acetonitrile, for HPLC, gradient grade, >=99.9%, EINECS 200-835-2, RCRA waste no. 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Theoretical properties:
molecular_formula: C2H3N
molecular_weight: 41.05 g/mol
exact_mass: 41.026549100 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 3
topological_polar_surface_area: 23.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless, limpid liquid
color: Colorless, limpid liquid
odor: Aromatic odor
boiling_point: 178.9 °F at 760 mmHg (NTP, 1992)
melting_point: -49 °F (NTP, 1992)
density: 0.787 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: greater than or equal to 100 mg/mL at 72.5 °F (NTP, 1992)
flash_point: 42 °F (NTP, 1992)
vapor_pressure: 73 mmHg at 68 °F (NTP, 1992)
Descriptions:
pubchem: Acetonitrile is a nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group. It has a role as a polar aprotic solvent and an EC 3.5.1.4 (amidase) inhibitor. It is a volatile organic compound and an aliphatic nitrile.
chebi: A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group.
chembl: ACETONITRILE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Acetonitrile, often abbreviated MeCN (methyl cyanide), is the chemical compound with the formula CH3CN and structure H3C−C≡N. This colourless liquid is the simplest organic nitrile (hydrogen cyanide is a simpler nitrile, but the cyanide anion is not classed as organic). It is produced mainly as a byproduct of acrylonitrile manufacture. It is used as a polar aprotic solvent in organic synthesis and in the purification of butadiene. The N≡C−C skeleton is linear with a short C≡N distance of 1.16 Å.
Acetonitrile was first prepared in 1847 by the French chemist Jean-Baptiste Dumas.