1-Nitropropane

Base Information

• Chemical Name: 1-Nitropropane
• CAS No.: 108-03-2
• Deprecated CAS: 104306-52-7
• Molecular Formula: C3H7NO2
• Molecular Weight: 89.0941
• Hs Code.: H3CH2CH2NO2 MOL WT. 89.09
• European Community (EC) Number: 203-544-9
• ICSC Number: 1050
• NSC Number: 6363
• UN Number: 2608
• UNII: 39W305OW99
• DSSTox Substance ID: DTXSID1020980
• Nikkaji Number: J2.413I
• Wikipedia: 1-Nitropropane
• Wikidata: Q2567814
• ChEMBL ID: CHEMBL1449933
• Mol file: 108-03-2.mol

Synonyms:1-nitropropane

Chemical Property of 1-Nitropropane

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 7.5 mm Hg ( 20 °C)
• Melting Point: -108 °C
• Refractive Index: 1.4015
• Boiling Point: 131.714 °C at 760 mmHg
• PKA: pK1:8.98 (25°C)
• Flash Point: 42.337 °C
• PSA: 45.82000
• Density: 0.981 g/cm³
• LogP: 1.19630
• Storage Temp.: Flammables area
• Solubility.: 14g/l
• Water Solubility.: 1.40 g/100 mL
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 89.047678466
• Heavy Atom Count: 6
• Complexity: 47.2
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99%min ^*data from raw suppliers

1-Nitropropane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-20/21/22
• Safety Statements: 9-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitros, Aliphatic
• Canonical SMILES: CCC[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 and respiratory tract.
• Physical properties: Colorless, oily liquid with a mild, fruity odor. A detection odor threshold concentration of 510 mg/m3 (140 ppmv) was experimentally determined by Dravnieks (1974).
• Uses: Solvent for organic materials; propellant fuel; gasoline additive The solvent of 1-Nitropropane is mainly used coatings, inks and separation processes. Solvent, chemical synthesis, rocket propellant, gasoline additive.

Technology Process of 1-Nitropropane

There total 41 articles about 1-Nitropropane 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:

propane (74-98-6) → i-propyl nitrite (541-42-4) + n-propyl nitrite (543-67-9) + isopropyl nitrate (1712-64-7) + propyl nitrate (627-13-4) + 2-nitropropane (79-46-9) + 1-Nitropropane (108-03-2)

Guidance literature:

With dihydrogen peroxide; Nitrogen dioxide; at 24.9 ℃; under 300.02 Torr; Rate constant; Product distribution; Mechanism; boric-acid-coated surface; various pressure and carrier-gas composition;

DOI:10.1039/f19848000609

Reference yield:

propane (74-98-6) → i-propyl nitrite (541-42-4) + isopropyl nitrate (1712-64-7) + propyl nitrate (627-13-4) + 2-nitropropane (79-46-9) + 1-Nitropropane (108-03-2) + acetone (67-64-1)

Guidance literature:

With dihydrogen peroxide; oxygen; Nitrogen dioxide; at 24.9 ℃; under 300.02 Torr; Rate constant; Product distribution; Mechanism; boric-acid-coated surface; various O₂ concn.;

DOI:10.1039/f19848000617

Reference yield:

butyric acid (107-92-6) → isopropyl nitrate (1712-64-7) + hexane (110-54-3) + isopropyl butyrate (638-11-9) + 1-Nitropropane (108-03-2)

Guidance literature:

Elektrolyse von Natriumbutyrat; Produkt₅: Essigsaeure; Produkt₆: Propionsaeure; Produkt₇: Glycerin-nitrat(?); und andere Produkten;

upstream raw materials:

Cyclopentane

nitric acid

n-butane

pentane

Downstream raw materials:

4-(2-nitrobutyl)morpholine

5-benzyloxy-3-(2-nitro-but-1-enyl)-indole

1-(1-Nitro-propyl)-cyclohexanol

1-chloro-4-(2-nitro-1-butenyl)benzene

Refernces

• 1、 Bachman et al.. "-". . p. 928,929,935. Retrieved 1952.
• 2、 Hass,Dorsky,Hodge. "-". . p. 1138. Retrieved 1941.
• 3、 Bachman et al.. "-". . p. 312,317,320. Retrieved 1954.
• 4、 Barnes,M.W.,Patterson,J.M.. "-". . p. 733 - 735. Retrieved 1976.
• 5、 Dominguez, Rosa Maria,Herize, Armando,Rotinov, Alexandra,Alvarez-Aular, Alvaro,Visbal, Gonzalo,Chuchani, Gabriel. "Kinetics and mechanisms of the gas-phase elimination of 2-substituted primary, secondary and tertiary hydroxy groups in nitroalkanes". . p. 399 - 408. Retrieved 2004.
• 6、 -. "Green synthesis method for preparing nitroalkanes by oxime oxidation". Paragraph 0051; 0052. . Retrieved 2017/08/29.
• 7、 -. "PROCESS FOR NITROALKANE RECOVERY BY AQUEOUS PHASE RECYCLE TO NITRATION REACTOR". Page/Page column 16-17. . Retrieved 2011/05/06.