545-06-2
Product Name:
Trichloroacetonitrile
Formula:
C2Cl3N
Synonyms:
Trichloroacetonitrile;Trichloromethylnitrile
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Trichloroacetonitrile is a clear pale yellow liquid. (NTP, 1992) |
|---|---|
| Color/Form | Colorless liquid |
| Boiling Point | 181 to 183 °F at 760 mmHg (NTP, 1992) |
| Melting Point | -44 °F (NTP, 1992) |
| Flash Point | 165.5 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 70.7 °F (NTP, 1992) |
| Density | 1.4403 at 77 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 74.1 [mmHg] |
| LogP | log Kow = 2.09 |
| Decomposition | When heated to decomposition or in reaction with water, steam, acid or acid fumes it produces toxic fumes of /Cyanide/, /Hydrogen Chloride/, and /Nitrogen oxides/. |
| Refractive Index | Index of refraction: 1.4409 at 20 °C/D; 1.4375 at 27.0 °C/D |
| Kovats Retention Index | 667.7 668 |
| Other Experimental Properties | Conversion factor: mg/cu m = 5.91 X ppm |
| Chemical Classes | Nitrogen Compounds -> Nitriles |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Environment GHS09 |
| GHS Hazard Statements |
H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 144.38 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 142.909632 g/mol |
| Monoisotopic Mass | 142.909632 g/mol |
| Topological Polar Surface Area | 23.8 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 82.7 |
| 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
Trichloroacetonitrile is a clear pale yellow liquid. (NTP, 1992)