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130265

Sigma-Aldrich

2-Nitropropane

≥96%

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Synonym(s):
Isonitropropane, Nitro propane
Linear Formula:
CH3CH(NO2)CH3
CAS Number:
Molecular Weight:
89.09
Beilstein:
1740684
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

vapor density

~3 (vs air)

Quality Level

vapor pressure

~13 mmHg ( 20 °C)

Assay

≥96%

autoignition temp.

802 °F

refractive index

n20/D 1.394 (lit.)

bp

120 °C (lit.)

mp

−93 °C (lit.)

solubility

H2O: slightly soluble
organic solvents: miscible

density

0.992 g/mL at 25 °C (lit.)

SMILES string

CC(C)[N+]([O-])=O

InChI

1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3

InChI key

FGLBSLMDCBOPQK-UHFFFAOYSA-N

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1 of 4

This Item
135615538124189022
2-Nitropropane ≥96%

Sigma-Aldrich

130265

2-Nitropropane

-
2-Bromo-2-methylpropane 98%

Sigma-Aldrich

135615

2-Bromo-2-methylpropane

-
Propionaldehyde reagent grade, 97%

Sigma-Aldrich

538124

Propionaldehyde

Essential Grade
2-Methyl-2-nitropropane 99%

Sigma-Aldrich

189022

2-Methyl-2-nitropropane

-
refractive index

n20/D 1.394 (lit.)

refractive index

n20/D 1.4279 (lit.)

refractive index

n20/D 1.362 (lit.)

refractive index

n20/D 1.4 (lit.)

bp

120 °C (lit.)

bp

71-73 °C (lit.)

bp

46-50 °C (lit.)

bp

126-127 °C (lit.)

mp

−93 °C (lit.)

mp

−20 °C (lit.)

mp

−81 °C (lit.)

mp

-

solubility

H2O: slightly soluble, organic solvents: miscible

solubility

H2O: insoluble, organic solvents: miscible

solubility

organic solvents: soluble

solubility

-

density

0.992 g/mL at 25 °C (lit.)

density

1.22 g/mL at 20 °C (lit.)

density

0.805 g/mL at 25 °C (lit.)

density

0.95 g/mL at 25 °C (lit.)

General description

2-Nitropropane can be converted to mutagenic metabolites by human SULT1A1.

Application

2-Nitropropane was used to prepare 5,5-Dimethylpyrroline N-oxide and 5,5-di(trideuteromethyl)pyrroline N-oxide. It was also used to determine the concordance of results for a pair of structural isomers, 2-nitropropane (2-NP) and 1-nitropropane (1-NP).

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 3 - Carc. 1B - Flam. Liq. 3 - Muta. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

78.8 °F - closed cup

Flash Point(C)

26 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Bente Riis et al.
DNA repair, 1(9), 709-717 (2003-01-02)
This study was set up to investigate the relationships between the formation and removal of DNA damage in form of 8-oxodeoxyguanosine (8-oxodG) in neonatal (day 16 of gestation) as compared to adult rats. The hypothesis addressed was whether the rapidly
Reversal of enantioselectivity by tuning the conformational flexibility of phase-transfer catalysts.
Ming-Qing Hua et al.
Angewandte Chemie (International ed. in English), 49(15), 2772-2776 (2010-03-17)
Kevin Francis et al.
The Journal of biological chemistry, 280(7), 5195-5204 (2004-12-08)
2-Nitropropane dioxygenase (EC 1.13.11.32) catalyzes the oxidation of nitroalkanes into their corresponding carbonyl compounds and nitrite. In this study, the ncd-2 gene encoding for the enzyme in Neurospora crassa was cloned, expressed in Escherichia coli, and the resulting enzyme was
Fabian Leinisch et al.
Molecules (Basel, Switzerland), 16(10), 8428-8436 (2011-10-12)
5,5-Dimethylpyrroline N-oxide (15N) and 5,5-di(trideuteromethyl)pyrroline N-oxide were synthesized from the respective isotopically labeled 2-nitropropane analogs obtained from the reaction of sodium nitrate with 2-halopropanes. This facile, straightforward process allows synthesizing isotopically labeled DMPO analogs in a 4-step reaction without special
Jun Yong Ha et al.
The Journal of biological chemistry, 281(27), 18660-18667 (2006-05-10)
Nitroalkane compounds are widely used in chemical industry and are also produced by microorganisms and plants. Some nitroalkanes have been demonstrated to be carcinogenic, and enzymatic oxidation of nitroalkanes is of considerable interest. 2-Nitropropane dioxygenases from Neurospora crassa and Williopsis

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