nitromethane (CHEBI:77701)

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ChEBI Name	nitromethane

ChEBI ID	CHEBI:77701

Definition	A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 °C), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

CH3NO2

Net Charge

Average Mass

61.04000

Monoisotopic Mass

61.01638

InChI

InChI=1S/CH3NO2/c1-2(3)4/h1H3

InChIKey

LYGJENNIWJXYER-UHFFFAOYSA-N

SMILES

C[N+]([O-])=O

Roles Classification
Chemical Role(s):	explosive A substance capable of undergoing rapid and highly exothermic decomposition. polar aprotic solvent A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds. NMR chemical shift reference compound Any compound that produces a peak used to reference an NMR spectrum during data pre-processing.

Biological Role(s):	EC 4.3.1.3 (histidine ammonia-lyase) inhibitor An EC 4.3.1.* (ammonia-lyase) inhibitor that interferes with the action of histidine ammonia-lyase (EC 4.3.1.3).

Application(s):	polar aprotic solvent A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds. NMR chemical shift reference compound Any compound that produces a peak used to reference an NMR spectrum during data pre-processing.

ChEBI Ontology
Outgoing	nitromethane (CHEBI:77701) has role EC 4.3.1.3 (histidine ammonia-lyase) inhibitor (CHEBI:77703) nitromethane (CHEBI:77701) has role explosive (CHEBI:63490) nitromethane (CHEBI:77701) has role NMR chemical shift reference compound (CHEBI:228364) nitromethane (CHEBI:77701) has role polar aprotic solvent (CHEBI:48358) nitromethane (CHEBI:77701) is a primary nitroalkane (CHEBI:133972) nitromethane (CHEBI:77701) is a volatile organic compound (CHEBI:134179)

IUPAC Name

nitromethane

Last Modified

09 January 2024