Cas no 79-46-9 (2-Nitropropane)

2-Nitropropane (C?H?NO?) is a colorless to pale yellow liquid with a mild odor, primarily used as a solvent in industrial applications. Its key advantages include high solvency power for resins, coatings, and adhesives, making it suitable for formulations requiring rapid evaporation and low viscosity. The compound exhibits good chemical stability and compatibility with a range of organic materials. Additionally, 2-Nitropropane serves as an intermediate in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. Its relatively low boiling point (120°C) and moderate reactivity allow for efficient processing in controlled environments. Proper handling is essential due to its flammability and potential health hazards upon prolonged exposure.
2-Nitropropane structure
2-Nitropropane structure
Product Name:2-Nitropropane
CAS No:79-46-9
MF:C3H7NO2
MW:89.0931808948517
MDL:MFCD00007397
CID:34183
PubChem ID:398
Update Time:2025-10-28

2-Nitropropane Chemical and Physical Properties

Names and Identifiers

    • 2-Nitropropane
    • 2-nitro-propane
    • 2-NP
    • Dimethylnitromethane
    • Isonitropropane
    • Nipar S-20
    • Nitroisopropane
    • Propane,2-nitro
    • sec-Nitropropane
    • 1-Methylnitroethane
    • NSC 5369
    • i-C3H7NO2
    • NA2608
    • FT-0613216
    • iso-Nitropropane
    • CAS-79-46-9
    • 79-46-9
    • NCGC00091337-02
    • NCGC00091337-01
    • DTXCID80981
    • CHEBI:16037
    • J-510180
    • 2-nitro propane
    • L001273
    • Nitropropane, 2-
    • Propane, 2-nitro-
    • 2-Nitropropano
    • GKV234L2QH
    • NCGC00257919-01
    • 2-Nitropropane, >=96%
    • CHEMBL261886
    • RCRA waste number U171
    • Tox21_200365
    • BBL011484
    • N0249
    • STL146596
    • InChI=1/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H
    • RCRA waste no. U171
    • .beta.-Nitropropane
    • WLN: WNY1&1
    • 2-NITROPROPANE [MI]
    • 2-nitropropan
    • MFCD00007397
    • CCRIS 453
    • Nipar S-20 solvent
    • Nipar S-30 solvent
    • 2-NITROPROPANE [HSDB]
    • LS-1785
    • Isonitro propane
    • 2-NITROPROPANE [IARC]
    • DTXSID6020981
    • AI3-00109
    • EC 201-209-1
    • D95323
    • F0001-2080
    • AMY25784
    • Q209453
    • nipar s-30
    • propane, 2-nitro
    • beta-Nitropropane
    • PD094263
    • UNII-GKV234L2QH
    • C02116
    • c0555
    • NSC-5369
    • HSDB 1134
    • 2-NITROPROPANE-1,1,1,3,3,3-D6
    • AKOS000119973
    • NSC5369
    • Propano, 2-nitro-
    • 52809-86-6
    • Z104474978
    • EN300-19734
    • EINECS 201-209-1
    • NS00006722
    • NPP (CHRIS Code)
    • 2-Nitropropane (ACI)
    • betaNitropropane
    • ?-NITROPROPANE
    • B-NITROPROPANE
    • 2-Nitropropane (ACGIH:OSHA)
    • 2nitropropane
    • Nipar S30 solvent
    • NITROPROPANES (2-NITROPANE)
    • Nipar S20 solvent
    • 2-NITROPROPANE (IARC)
    • Nipar S20
    • USEPA/OPP Pesticide Code: 600029
    • MDL： MFCD00007397
    • Inchi： 1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3
    • InChI Key： FGLBSLMDCBOPQK-UHFFFAOYSA-N
    • SMILES： [O-][N+](C(C)C)=O

Computed Properties

  • Exact Mass: 89.04770
  • Monoisotopic Mass: 89.048
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 1
  • Complexity: 54.3
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: nothing
  • Topological Polar Surface Area: 45.8A^2

Experimental Properties

  • Ionization Potential: 10.71 eV
  • Color/Form: Colorless transparent oily liquid with fruit flavor. [1]
  • Density: 0.992?g/mL?at 25?°C(lit.)
  • Melting Point: ?93?°C (lit.)
  • Boiling Point: 120?°C(lit.)
  • Flash Point: Degrees Fahrenheit:78.8°F
    Degrees Celsius:26°C
  • Refractive Index: n20/D 1.394(lit.)
  • Solubility: H2O: slightly soluble
  • Water Partition Coefficient: 1.7 g/100 mL (20 oC)
  • Stability/Shelf Life: Stable. Incompatible with strong oxidizing agents, strong bases, copper.
  • PSA: 45.82000
  • LogP: 1.19470
  • Merck: 6628
  • Vapor Pressure: ~13 mmHg ( 20 °C)
  • Solubility: Slightly soluble in water, miscible in aromatic hydrocarbons, ketones, esters, ethers and other organic solvents. [15]

2-Nitropropane Security Information

  • Symbol: GHS02 GHS06 GHS08
  • Prompt：dangerous
  • Signal Word：Danger
  • Hazard Statement： H226-H302-H331-H341-H350-H412
  • Warning Statement： P201-P210-P280-P304+P340+P312-P308+P313-P370+P378
  • Hazardous Material transportation number：UN 2608 3/PG 3
  • WGK Germany：3
  • Hazard Category Code： 45-10-20/22-52/53-68
  • Safety Instruction： S53-S45
  • RTECS：TZ5250000
  • Hazardous Material Identification： T
  • PackingGroup：III
  • HazardClass：3.2
  • Packing Group：III
  • Hazard Level：3.2
  • Safety Term：3.2
  • Packing Group：III
  • Risk Phrases：R10; R20/22; R45
  • Storage Condition：Store at 4°C,-4At ℃Store…Better

2-Nitropropane Customs Data

  • HS CODE：29042000
  • Customs Data：

    China Customs Code:

    29042000

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2-Nitropropane Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: 1-Benzyl-1,4-dihydronicotinamide Solvents: Dimethylformamide
Reference
Desulfonylation reactions
Alonso, Diego A.; Najera, Carmen, Organic Reactions (Hoboken, 2008, 72, 367-656

Production Method 2

Reaction Conditions
1.1 Reagents: Triisopropanolamine ,  Tetrapropylammonium hydroxide ,  Hydrogen peroxide Solvents: Methanol ;  1.5 h, 70 °C
Reference
Green Synthesis of 2-Nitropropane via Ammoximation-Oxidation over Organic Base Modified TS-1 Catalysts
Zhang, Zhiqiang; Chu, Qingyan ; Sun, Yuan; Wang, Hao; Lu, Deming; et al, ChemistrySelect, 2022, 7(35),

Production Method 3

Reaction Conditions
1.1 Reagents: Nitrogen dioxide Catalysts: N-Hydroxyphthalimide Solvents: (Trifluoromethyl)benzene
Reference
An Efficient Nitration of Light Alkanes and the Alkyl Side-Chain of Aromatic Compounds with Nitrogen Dioxide and Nitric Acid Catalyzed by N-Hydroxyphthalimide
Nishiwaki, Yoshiki; Sakaguchi, Satoshi; Ishii, Yasutaka, Journal of Organic Chemistry, 2002, 67(16), 5663-5668

Production Method 4

Reaction Conditions
1.1 Reagents: Iodoethane ,  Pyridine, 4-ethenyl-, polymer with diethenylbenzene, compd. with iodoethane (nitrite anion-exchanged) Solvents: Acetonitrile ;  24 h, rt
1.2 Reagents: Sodium nitrite Solvents: Water ;  24 h, rt
1.3 Solvents: Hexane ;  72 h, rt
Reference
Synthesis of nitroalkanes from alkyl halides under mild and nonaqueous conditions by using polymer supported nitrites
Zarchi, Mohammad Ali Karimi; Zarei, Amin, Journal of the Chinese Chemical Society (Taipei, 2005, 52(2), 309-311

Production Method 5

Reaction Conditions
1.1 Solvents: Dimethylformamide
Reference
Desulfonylation of α-nitrosulfones with N-benzyl-1,4-dihydronicotinamide
Ono, Noboru; Tamura, Rui; Tanikaga, Rikuhei; Kaji, Aritsune, Journal of the Chemical Society, 1981, (3), 71-2

Production Method 6

Reaction Conditions
1.1 Reagents: Tributylstannane Solvents: Benzene-d6 ;  14.5 h
Reference
Free-radical clocks in the aliphatic SRN1 process and reactions of nucleophiles with 1,1-dinitro-2,2-diphenylethylene
Dedolph, Douglas Frederick, 1983, , ,

Production Method 7

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide ,  Bis(trifluoroacetoxy)iodobenzene ,  Sodium nitrite Solvents: Acetonitrile ;  3 h, rt
Reference
A novel transition metal free [bis-(trifluoroacetoxy)iodo]benzene (PIFA) mediated oxidative ipso nitration of organoboronic acids
Chatterjee, Nachiketa; Bhatt, Divya; Goswami, Avijit, Organic & Biomolecular Chemistry, 2015, 13(17), 4828-4832

Production Method 8

Reaction Conditions
1.1 Reagents: Sodium hydroxide ,  Hydrogen Catalysts: Palladium Solvents: Water
Reference
2-Chloro-2-nitrosopropane
Bobinski, Thomas, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2015, 1, 1-4

Production Method 9

Reaction Conditions
1.1 Reagents: Sodium nitrite Solvents: Dimethyl sulfoxide ;  6 h, 55 °C
Reference
Research on synthesis of 2-nitropropane using sodium nitrite
Lee, W., Hwahak Kwa Hwahak Konghak, 2011, 100(4), 26-27

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Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:79-46-9)2-Nitropropane
Order Number:LE11512
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:05
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(CAS:79-46-9)2-Nitropropane
LE11512
Purity:99%
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