79-46-9
Product Name:
2-Nitropropane
Formula:
C3H7NO2
Synonyms:
2-(1,8-naphthyridin-2-yl)-Phenol
Inquiry
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)