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2-Nitropropane

2-Nitropropane structure

CAS No:
79-46-9
Formula:
C3H7NO2
Chemical Name:
2-Nitropropane
Synonyms:
Propane,2-nitro-;2-Nitropropane;Isonitropropane;Dimethylnitromethane;NSC 5369;1-Methylnitroethane;104306-46-9
Categories:
Chemical Reagents > Organic Reagents

Description

2-Nitropropane(2-NP) is an aliphatic nitro compound. It is a colorless, oily, and flammable liquid with a mild fruity odor. Soluble in water 1.7 mL/100 mL (20C); solubility of water in 2-nitropropane 0.6 cc/100 cc (20C); miscible with organic solvents.
As other nitroalkane, 2-NP exists in tautomeric equilibrium with its nitronic acid isomers (protonated and anionic aci forms).The aci form is amphoterically reactive, the protonated form being electrophilic and the anionic form being nucleop

2-Nitropropane Basic Attributes

Molecular Weight：

89.09

Exact Mass：

89.09

EC Number：

201-209-1

HScode：

29042000

Characteristics

PSA：

45.8

XLogP3：

0.93

Appearance：

2-nitropropane appears as colorless liquid with a mild fruity odor. May float on or sink in water. (USCG, 1999)

Density：

0.9821 g/cm³ @ Temp: 25 °C

Melting Point：

-93 °C

Boiling Point：

120.3 °C @ Press: 760 Torr

Flash Point：

99 °F

Refractive Index：

1.396

Water Solubility：

H2O: 1.7 g/100 mL (20 ºC);slightly soluble

Storage Conditions：

Flammables area

Vapor Pressure：

~13 mm Hg ( 20 °C)

Vapor Density：

~3 (vs air)

Toxicity：

Oral-Rat LDL0: 720 mg/kg; inhalation-mouse LC50: 10 g/m3/2 hours

Flammability characteristics：

Inflammable in case of open flame, high temperature, oxidant; burning produces toxic nitrogen oxide fumes

Explosive limit：

vol% in air: 2.61

Odor：

Pleasant fruity odor.

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 2608 3/PG 3

wgk germany：

hazard class code：

45-10-20/22-68-52/53

safety instructions：

53-45-61-36/37

RTECS Number：

TZ5250000

Marks：

Storage features：

The warehouse is ventilated, low temperature and dry; stored separately from oxidants and alkalis

Explosive characteristics：

Explosive in case of strong oxidant

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents, strong bases, copper.

Precautionary statement(s)：

P201-P261-P273-P281-P311

Hazard Statements：

H226-H302-H331-H341-H350-H412

Toxicity

Toxicity class：

moderately toxic

2-Nitropropane Use and Manufacturing

Methods of Manufacturing

It is derived from the reaction of propane and nitric acid under pressure.

Uses

Solvents and co-solvents for extraction, used as special solvents for ethylene and epoxy resin coatings, rocket fuel, gasoline additives, etc., also used in organic synthesis.

Computed Properties

Molecular Weight:89.09
XLogP3:0.8
Hydrogen Bond Acceptor Count:2
Exact Mass:89.047678466
Monoisotopic Mass:89.047678466
Topological Polar Surface Area:45.8
Heavy Atom Count:6
Complexity:54.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

1-Nitropropane

Nitric acid

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