2-Nitropropane

C3H7NO2CAS 79-46-989.09 g/mol

Open in Covalent MOL file
N+OO−
Nitro

Properties

Molecular formula
C3H7NO2
Molar mass
89.09 g/mol
Exact mass
89.0477 Da
Density
0.9821 g/mL (at 25 °C)
Melting point
−93 °C
Boiling point
120.3 °C
pKa
7.68
Water solubility
17 g/L (25 °C)
logP
0.67Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI, index 609-002-00-1), via PubChem.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P317, P318, P330, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
79-46-9
SMILES
CC(C)[N+](=O)[O-]
InChIKey
FGLBSLMDCBOPQK-UHFFFAOYSA-N
InChI
InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3

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Names and synonyms

5 names
  • Propane, 2-nitro-
  • Isonitropropane
  • Dimethylnitromethane
  • NSC 5369
  • 1-Methylnitroethane

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 79-46-9. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with 2-Nitropropane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Chloro-1-nitroethane598-92-550 % similar 1-Chloro-1-nitropropane600-25-938 % similar 1,3-Diethyl 2-nitropropanedioate603-67-833 % similar Isopropyl nitrate1712-64-732 % similar 5-Nitrobarbituric acid480-68-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

β-Alanine107-95-9 Sarcosine107-97-1 1-Nitropropane108-03-2 Lactamide2043-43-8 Alanine302-72-7 D-Alanine338-69-2 Ethyl carbamate51-79-6 Isopropyl nitrite541-42-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia