75-05-8
Product Name:
Acetonitrile
Formula:
C2H3N
Synonyms:
ACN;Acetonitrile;Methyl cyanide;Acetonitrile solution;Cyanomethane
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Acetonitrile appears as a colorless limpid liquid with an aromatic odor. Flash point 42 °F. Density 0.783 g / cm3. Toxic by skin absorption. Less dense than water. Vapors are denser than air. |
|---|---|
| Color/Form | Colorless, limpid liquid |
| Odor | Aromatic odor |
| Taste | Burning sweetish taste |
| Boiling Point | 178.9 °F at 760 mmHg (NTP, 1992) |
| Melting Point | -49 °F (NTP, 1992) |
| Flash Point | 42 °F (NTP, 1992) |
| Solubility | greater than or equal to 100 mg/mL at 72.5 °F (NTP, 1992) |
| Density | 0.787 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Vapor Density | 1.42 (NTP, 1992) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | 73 mmHg at 68 °F (NTP, 1992) |
| LogP | log Kow = -0.34 |
| Henry's Law Constant | Henry's Law constant = 3.45X10-5 atm-cu m/mole at 25 °C |
| Stability/Shelf Life | Heat /contributes to instability/. |
| Autoignition Temperature | 975 °F (USCG, 1999) |
| Decomposition | When heated to decomposition, emits highly toxic fumes of /cyanides and nitrogen oxides/. |
| Viscosity | 0.35 cP at 20 °C |
| Corrosivity | Liquid acetonitrile will attack some forms of plastics, rubber, and coatings. |
| Heat of Combustion | 31.03X10+6 J/kg at 25 °C |
| Heat of Vaporization | 72.7X10+4 J/kg at 80 °C |
| Surface Tension | 29.04 dynes/cm at 20 °C |
| Ionization Potential | 12.20 eV |
| Polymerization | A mixture of acetonitrile and sulfuric acid on heating (or self-heating) to 53 °C underwent an uncontrollable exothermic reaction to 160 °C in a few seconds. The presence of 28 mol% of sulfur trioxide reduces the initiation temperature to about 15 °C. Polymerization of the nitrile is suspected. |
| Odor Threshold | Odor Threshold Low: 40.0 [mmHg] Odor Threshold High: 1161.0 [mmHg] Detection odor threshold from AIHA (mean = 1160 ppm) |
| Refractive Index | Index of refraction: 1.33934 at 30 °C/D |
| Dissociation Constants | pKa = -4.30 (conjugate acid) |
| Relative Evaporation Rate | 579 (butyl acetate = 100) |
| Kovats Retention Index | 452.35 452.5 452.53 452.71 452.72 452.9 452.92 453.18 453.32 453.7 453.9 454.45 454.52 455.25 455.45 455.74 456.69 457.67 456.9 464 460 456 458.8 447 470 444.5 443 452 467 443 455 464 455 |
| Other Experimental Properties | High polarity; strongly reactive |
| Chemical Classes | Nitrogen Compounds -> Nitriles |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H225:Flammable liquids H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 41.05 g/mol |
|---|---|
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 41.026549100 g/mol |
| Monoisotopic Mass | 41.026549100 g/mol |
| Topological Polar Surface Area | 23.8 Ų |
| Heavy Atom Count | 3 |
| Formal Charge | 0 |
| Complexity | 29.3 |
| 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
Acetonitrile is a volatile organic liquid with an ether-like odor. As a highly polar compound, it is widely employed as a solvent in various industrial applications.