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Merck
CN

130265

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24847954
EC Number:
201-209-1
Beilstein/REAXYS Number:
1740684
MDL number:
MFCD00007397
Assay:
≥96%

Key Documents

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Product Name

2-Nitropropane, ≥96%

InChI key

FGLBSLMDCBOPQK-UHFFFAOYSA-N

InChI

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

SMILES string

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

vapor density

~3 (vs air)

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

Quality Level

200

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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).

General description

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

signalword

Danger

Hazard Classifications

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

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

78.8 °F - closed cup

flash_point_c

26 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCP0009
BCCM3769
BCCL1119
BCCB9352
BCCB2915

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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
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
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
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)
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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