91-15-6
Product Name:
Phthalonitrile
Formula:
C8H4N2
Synonyms:
1,2-Benzenedicarbonitrile;Phthalonitrile
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Beige solid; [Hawley] Off-white or beige powder; [MSDSonline] |
|---|---|
| Color/Form | NEEDLES FROM WATER OR PETROLEUM ETHER |
| Odor | Slightly aromatic |
| Boiling Point | 304.5 °C |
| Melting Point | 138 °C |
| Flash Point | 162 °C |
| Solubility | Soluble in alcohol and ether |
| Density | 1.238 g/cu cm |
| Vapor Pressure | 0.00569 [mmHg] |
| LogP | log Kow = 0.99 |
| Autoignition Temperature | >580 °C |
| Decomposition | When heated to decomposition it emits toxic fumes of CN- and NOx /cyanides and nitrogen oxides/. |
| Heat of Combustion | -4013 kJ/mole |
| Heat of Vaporization | 67 kJ/mol |
| Kovats Retention Index | 1304 |
| Other Experimental Properties | Specific heat = 1.30 J/g K @ 30 °C |
| Chemical Classes | Nitrogen Compounds -> Nitriles |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H412:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P405:Store locked up. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 128.13 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 128.037448136 g/mol |
| Monoisotopic Mass | 128.037448136 g/mol |
| Topological Polar Surface Area | 47.6 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 178 |
| 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
Phthalonitrile is a chemical compound of cyanide. It is used as a precursor to phthalocyanine pigments (which are precursors to the blue dye in jeans), fluorescent brighteners, and photographic sensitizers. (L611)