Nitromethane

Base Information

• Chemical Name: Nitromethane
• CAS No.: 75-52-5
• Deprecated CAS: 104306-48-1
• Molecular Formula: CH3NO2
• Molecular Weight: 61.0403
• Hs Code.: 2904.20
• European Community (EC) Number: 200-876-6,684-185-9
• ICSC Number: 0522
• NSC Number: 428
• UN Number: 1261
• UNII: RU5WG8C3F4
• DSSTox Substance ID: DTXSID2020977
• Nikkaji Number: J2.393K,J2.051.726C,J1.450.558J
• Wikipedia: Nitromethane
• Wikidata: Q407733,Q82003213
• NCI Thesaurus Code: C44412
• ChEMBL ID: CHEMBL276924
• Mol file: 75-52-5.mol

Synonyms:nitromethane

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Chemical Property of Nitromethane

Chemical Property:

• Appearance/Colour: clear liquid
• Vapor Pressure: 27.3 mm Hg ( 20 °C)
• Melting Point: -29 °C
• Refractive Index: 1.3819
• Boiling Point: 85.1 °C at 760 mmHg
• PKA: 10.2(at 25℃)
• Flash Point: 35 °C
• PSA: 45.82000
• Density: 1.055 g/cm³
• LogP: 0.41610
• Storage Temp.: Flammables area
• Solubility.: 105g/l
• Water Solubility.: 9.5 g/100 mL (20 ºC)
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 61.016378338
• Heavy Atom Count: 4
• Complexity: 27.5
• Transport DOT Label: Flammable Liquid

Purity/Quality:

Safty Information:

• Pictogram(s): Xn,F,Xi
• Hazard Codes: Xn,F,Xi
• Statements: 5-10-22
• Safety Statements: 41

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitros, Aliphatic
• Canonical SMILES: C[N+](=O)[O-]
• Inhalation Risk: A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract. The substance may cause effects on the central nervous system. This may result in central nervous system depression.
• Effects of Long Term Exposure: Repeated or prolonged contact with skin may cause dermatitis. The substance may have effects on the peripheral nervous system, kidneys and liver. This may result in impaired functions.
• Description: Nitromethane (75-52-5) is an explosive material that was originally manufactured for various applications including mining, construction, demolition, law enforcement, and military uses. However, due to threats of terrorism and increased attention to accident prevention, regulations concerning the transportation, storage, use, and transfer relating to explosives have steadily increased over the last few years and manufacturing limited.
• Physical properties: Colorless liquid with a strong, disagreeable odor. Odor threshold concentration is 3.5 ppm (quoted, Amoore and Hautala, 1983).
• Uses: Most of the nitromethane produced in the United States (85% to 90%) is used in the synthesis of nitromethane derivatives used as pharmaceuticals, agricultural soil fumigants, and industrial antimicrobials (Markofsky 1991, Angus 2001). Nitromethane also is used as a fuel or fuel additive with methanol in racing cars, boats, and model engines. It formerly was used in the explosives industry as a component in a binary explosive formulation with ammonium nitrate and in shaped charges, and it was used as a chemical stabilizer to prevent decomposition of various halogenated hydrocarbons (NTP 1997, IARC 2000, Angus 2001). Solvent; chemical synthesis; fuel for professional and model racing cars; in explosive mixtures Rocket fuel; solvent for zein. Used in the coating industry.

Technology Process of Nitromethane

There total 175 articles about Nitromethane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

tetramethylsilane (75-76-3) → nitromethane (75-52-5) + trimethylsilyl fluoride (420-56-4)

Guidance literature:

With nitronium tetrafluoborate; In sulfolane; at 80 ℃; for 2h; Product distribution; Mechanism; other alkyl- and allylsilanes; other temperature, var. solvents;

DOI:10.1021/jo00380a046

Reference yield:

2-nitro-1-phenylethan-1-ol (141377-54-0,145920-96-3,149495-00-1,15990-45-1) → nitromethane (75-52-5) + benzaldehyde (100-52-7)

Guidance literature:

With tetrabutylammonium perchlorate; In acetonitrile; Electrolysis;

Reference yield:

2-nitro-1-phenylethan-1-ol (141377-54-0,145920-96-3,149495-00-1,15990-45-1) → nitromethane (75-52-5) + benzaldehyde (100-52-7) + (R)-2-nitro-1-phenylethanol (145920-96-3)

Guidance literature:

With hydroxynitrile lyase from Hevea brasiliensis; at 25 ℃; pH=6; Concentration; Kinetics; aq. phosphate buffer; Enzymatic reaction;

DOI:10.3109/10242422.2010.530661

upstream raw materials:

methanol

methyl bromide

methylene chloride

diethyl ether

Downstream raw materials:

16α-nitromethyl-pregn-4-ene-3,20-dione

2,2-dimethyl-1,3-dinitropropane

4,4-dimethyl-5-nitropentan-2-one

nitromethylcyclohexane

Refernces

• 1、 Scholtens, Kurtis W.,Messer, Banjamin M.,Cappa, Christopher D.,Elrod, Matthew J.. "Kinetics of the CH3O2 + NO Reaction: Temperature Dependence of the Overall Rate Constant and an Improved Upper Limit for the CH3ONO2 Branching Channel". . p. 4378 - 4384. Retrieved 1999.
• 2、 Ershov, Boris G.,Gordeev, Andrei V.,Bykov, Gennady L.,Zubkov, Andrei A.,Kosareva, Inessa M.. "Synthesis of nitromethane from acetic acid by radiation-induced nitration in aqueous solution". . p. 289 - 290. Retrieved 2007.
• 3、 Bien, Caitlin E.,Cai, Zhongzheng,Wade, Casey R.. "Using Postsynthetic X-Type Ligand Exchange to Enhance CO2Adsorption in Metal-Organic Frameworks with Kuratowski-Type Building Units". . p. 11784 - 11794. Retrieved 2021/07/26.
• 4、 Góbi, Sándor,Crandall, Parker B.,Maksyutenko, Pavlo,F?rstel, Marko,Kaiser, Ralf I.. "Accessing the Nitromethane (CH3NO2) Potential Energy Surface in Methanol (CH3OH)-Nitrogen Monoxide (NO) Ices Exposed to Ionizing Radiation: An FTIR and PI-ReTOF-MS Investigation". . p. 2329 - 2343. Retrieved 2018/03/21.