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Safety Information

130265

Sigma-Aldrich

2-Nitropropane

≥96%

Synonym(s):

Isonitropropane, Nitro propane

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About This Item

Linear Formula:
CH3CH(NO2)CH3
CAS Number:
79-46-9
Molecular Weight:
89.09
Beilstein:
1740684
EC Number:
201-209-1
MDL number:
MFCD00007397
UNSPSC Code:
12352100
PubChem Substance ID:
24847954
NACRES:
NA.22
Assay:
≥96%

vapor density

~3 (vs air)

Quality Level

200

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.)

functional group

amine
nitro

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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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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

130265-1L:
130265-5ML:4548173928623
130265-VAR:
130265-500ML:4548173928616
130265-100ML:4548173928609
130265-2.5L:
130265-2L:
130265-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
BCCM3769
BCCL1119
BCCB9352
BCCB2915
BCCB0896

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Yuko Doi et al.
Journal of toxicologic pathology, 24(4), 207-213 (2012-02-10)
This study was conducted to determine the concordance of results for a pair of structural isomers, 2-nitropropane (2-NP) and 1-nitropropane (1-NP), using the rat medium-term liver carcinogenesis bioassay (Ito test) and previously published long-term carcinogenicity tests. Male F344 rats were
Ethel A Wilhelm et al.
Fundamental & clinical pharmacology, 25(1), 80-90 (2010-02-10)
The in vitro effect of (E)-2-benzylidene-4-phenyl-1,3-diselenole (BPD) was evaluated through iron/EDTA-induced thiobarbituric acid reactive species (TBARS) and reactive species (RS) determinations as well as of the scavenging 2,2'-diphenyl-1-picrylhydrazyl (DPPH) radical quantification. BPD at the concentrations of 10 and 50 μΜ
Ethel A Wilhelm et al.
Experimental and toxicologic pathology : official journal of the Gesellschaft fur Toxikologische Pathologie, 61(3), 197-203 (2008-09-27)
This study was undertaken to investigate if the introduction of trifluoromethyl (F(3)C) group into diphenyl diselenide (PhSe)(2) molecule causes acute toxicity in rats. It was further examined if the presence of F(3)C group in (PhSe)(2) molecule alters the protective effect
Lysandro P Borges et al.
Toxicology, 210(1), 1-8 (2005-04-05)
The effect of diphenyl diselenide, (PhSe)2, administration on 2-nitropropane (2-NP)-induced hepatic damage was examined in male rats. Rats were pre-treated with a single dose of diphenyl diselenide (10, 50 or 100 micromol/kg). Afterward, they received only one dose of 2-NP
Cédric Gobin et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 60(1-2), 329-336 (2003-12-13)
New experimental results are reported on molecular interactions in the n-ethylamines and 2-nitropropane (2-NP)/n-ethylamine mixtures studied by Raman spectroscopy under pressure in a diamond anvil cell (0-50 GPa) and, at ambient pressure, by infrared spectroscopy. Modifications of the infrared spectra
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