CAS 627-05-4

1-Nitrobutane

Description:

1-Nitrobutane, with the CAS number 627-05-4, is an organic compound characterized by the presence of a nitro group (-NO2) attached to a butane backbone. It is a colorless to pale yellow liquid at room temperature, exhibiting a slightly sweet odor. The compound is soluble in organic solvents but has limited solubility in water. 1-Nitrobutane is known for its relatively low volatility and moderate flammability, making it important to handle with care in laboratory and industrial settings. Its molecular formula is C4H9NO2, and it has a molecular weight that reflects the presence of both carbon and nitrogen atoms. 1-Nitrobutane is primarily used as a solvent and as an intermediate in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. Additionally, it can participate in various chemical reactions, including nucleophilic substitutions and reductions, making it a valuable compound in synthetic organic chemistry. Safety precautions should be observed due to its potential health hazards upon exposure.

Formula: C₄H₉NO₂

InChI: InChI=1/C4H9NO2/c1-2-3-4-5(6)7/h2-4H2,1H3

InChI key: InChIKey=NALZTFARIYUCBY-UHFFFAOYSA-N

SMILES: C(N(=O)=O)CCC

Synonyms:

• Ai3-00107
• Brn 1743017
• Butane, 1-nitro-
• Ccris 3089
• Nsc 3648
• 4-01-00-00277 (Beilstein Handbook Reference)
• 1-Nitrobutane
• 1-Nitrobutane
• 1-nitro-butan
• Nitro-butane
• n-C4H9NO2

1-Nitrobutane

CAS: 627-05-4

1-Nitrobutane is an organic compound with the chemical formula CH3NO2. It is a colorless liquid that is soluble in water and insoluble in ether. 1-Nitrobutane can react with hydroxyl groups to form nitroalkanes and it has been used as a reaction product for kinetic measurements of hydroxyl group concentration. The reaction mechanism of 1-nitrobutane is not completely known, but it has been proposed that the hydroxyl group reacts with the nitro group by nucleophilic substitution. 1-Nitrobutane can be used as a reagent for chromatography because it absorbs ultraviolet radiation and emits photoelectrons, which can be detected by covid-19 detectors. 1-Nitrobutane also has been shown to have antiviral properties against pandemic influenza A virus (H1N1) in cultured cells and rat liver microsomes.

Formula: C₄H₉NO₂

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 103.12 g/mol

Ref: 3D-FN67980