270423

Nitromethane

suitable for HPLC, ≥96%

• Empirical Formula (Hill Notation): CH₃NO₂
• CAS Number: 75-52-5
• Molecular Weight: 61.04
• Beilstein/REAXYS Number: 1698205
• EC Number: 200-876-6
• MDL number: MFCD00007400
• UNSPSC Code: 12190000
• PubChem Substance ID: 329752938
• NACRES: NA.21

Properties

• vapor density: 2.1 (vs air)
• Quality Level: 100
• vapor pressure: 2.7 mmHg
• assay: ≥96%
• form: liquid
• autoignition temp.: 784 °F
• expl. lim.: 7.3 %, 33 °F
• technique(s): HPLC: suitable
• impurities: <0.030% water
• refractive index: n20/D 1.382 (lit.)
• pH: 6.4 (20 °C, 0.01 g/L)
• bp: 101.2 °C (lit.)
• mp: −29 °C (lit.)
• density: 1.127 g/mL at 25 °C (lit.)
• λ: H₂O reference
• UV absorption: λ: 380 nm A_max: 1.00; λ: 386 nm A_max: 0.50; λ: 395 nm A_max: 0.20; λ: 400 nm A_max: 0.10; λ: 405 nm A_max: 0.05; λ: 430-700 nm A_max: 0.01
• application(s): food and beverages
• SMILES string: C[N+]([O-])=O
• InChI: 1S/CH3NO2/c1-2(3)4/h1H3
• InChI key: LYGJENNIWJXYER-UHFFFAOYSA-N

Description

Application

• Asymmetric aza-Henry reaction toward trifluoromethyl β-nitroamines and biological investigation of their adamantane-type derivatives.: This study used nitromethane in asymmetric aza-Henry reactions to synthesize trifluoromethyl β-nitroamines, which were further investigated for their biological properties, showcasing the potential of nitromethane in advanced synthetic chemistry (Ren et al., 2024).


• Effect of Temperature on the Liquid Bridging Force while Maintaining Physical Stability in Solid-Liquid Mixed Fuel.: Nitromethane was analyzed in this research to understand its role in the stability of solid-liquid mixed fuels under varying temperatures, providing insights into the optimization of fuel formulations (Zhang et al., 2024).


• Generation of New Synthons for Synthesis Through Activation of Nitromethane.: This research demonstrated the activation of nitromethane to generate new synthons for synthetic applications, highlighting its versatility and importance in creating novel chemical entities (Wang et al., 2024).


• Towards Chemoenzymatic Syntheses of Both Enantiomers of Phosphoemeriamine.: The study explored the use of nitromethane in chemoenzymatic syntheses, enabling the production of both enantiomers of phosphoemeriamine, an important compound in chemical biology (Kiełbasiński et al., 2024).


• Rationally introducing non-canonical amino acids to enhance catalytic activity of LmrR for Henry reaction.: Nitromethane was employed in this study to investigate the enhancement of catalytic activity in the Henry reaction through the introduction of non-canonical amino acids, demonstrating its significance in enzyme catalysis research (Wang et al., 2024).

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Safety Information

• pictograms: GHS02,GHS08,GHS07
• signalword: Warning
• hcodes: H226,H302 + H332,H351,H361d
• pcodes: P202 - P210 - P233 - P301 + P312 - P304 + P340 + P312 - P308 + P313
• Hazard Classifications: Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Carc. 2 - Flam. Liq. 3 - Repr. 2
• Storage Class: 4.1A - Other explosive hazardous materials
• wgk_germany: WGK 2
• flash_point_f: 95.0 °F - closed cup
• flash_point_c: 35 °C - closed cup