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79-46-9

79-46-9 structural image
Product Name: 2-Nitropropane
Formula: C3H7NO2
Synonyms: 2-(1,8-naphthyridin-2-yl)-Phenol
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 2-nitropropane appears as colorless liquid with a mild fruity odor. May float on or sink in water. (USCG, 1999)
Color/Form Colorless liquid
Odor Pleasant fruity odor.
Boiling Point 248.5 °F at 760 mmHg (NTP, 1992)
Melting Point -135 °F (NTP, 1992)
Flash Point 75 °F (NTP, 1992)
Solubility greater than or equal to 0.1 mg/mL at 66 °F (NTP, 1992)
Density 0.99 at 68 °F (USCG, 1999) - Less dense than water; will float
Vapor Density 3.06 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 12.9 mmHg at 68 °F (NTP, 1992)
LogP log Kow = 0.93
Henry's Law Constant Henry's Law constant = 1.19X10-4 atm-cu m/mol at 25 °C
Stability/Shelf Life It is stable under ordinary circumstances, but may undergo explosive decomposition under conditions of extreme shock combined with heavy confinement and elevated temperature.
Autoignition Temperature 802 °F (USCG, 1999)
Decomposition When heated to decomposition it emits toxic fumes of /nitrogen oxides/.
Viscosity 0.721 cP at 25 °C
Heat of Combustion 477.60 Kcal/mol at 25 °C
Heat of Vaporization 9.88 Kcal/mol at 25 °C
Surface Tension 29.87 dyne/cm at 20 °C
Ionization Potential 10.71 eV
Polymerization 2-Nitropropane does not polymerize.
Odor Threshold Odor Threshold Low: 81.0 [mmHg] Odor Threshold High: 288.0 [mmHg] Odor threshold from AIHA
Refractive Index Index of refraction: 1.3944 at 20 °C /D
Dissociation Constants pKa = 7.68
Relative Evaporation Rate 1.10 (Butyl acetate = 1)
Kovats Retention Index 631 676 683 686 686 668.8 672 672 685 660 676 685
Other Experimental Properties 2-Nitropropane exists in equilibrium with its tautomer propane-2-nitronic acid, present in physiological media as the anion propane-2-nitronate.
Chemical Classes Nitrogen Compounds -> Nitros, Aliphatic

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H226:Flammable liquids
H302:Acute toxicity,oral
H331:Acute toxicity,inhalation
H341:Germ cell mutagenicity
H350:Carcinogenicity
H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P202:Do not handle until all safety precautions have been read and understood.
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P273:Avoid release to the environment.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 89.09 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 89.047678466 g/mol
Monoisotopic Mass 89.047678466 g/mol
Topological Polar Surface Area 45.8 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 54.3
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

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

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