626-17-5
Product Name:
1,3-Dicyanobenzene
Formula:
C8H4N2
Synonyms:
3,3′-Dichlorobenzaldazine;Benzene-1,3-dicarbonitrile, 1,3-Dicyanobenzene;Isophthalodinitrile;Isophthalonitrile;NSC 67224
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | M-phthalodinitrile appears as white, crystalline or flaky solid with an almond-like odor. mp: 161-162 °C (sublimes) Density 1.28 g/cm3 (at 25 °C). Insoluble in water. Soluble in benzene and in acetone. Used as an intermediate in the manufacture of polyurethane paints and varnishes, pharmaceuticals, and agricultural chemicals. |
|---|---|
| Color/Form | NEEDLES FROM ALCOHOL |
| Odor | Almond-like odor. |
| Boiling Point | Sublimes (NIOSH, 2023) |
| Melting Point | 324 °F (Sublimes) (NIOSH, 2023) |
| Flash Point | >150 °C |
| Solubility | Slight (NIOSH, 2023) |
| Density | 4.42 (NIOSH, 2023) - Denser than water; will sink |
| Vapor Density | Relative vapor density (air = 1): 4.42 |
| Vapor Pressure | 0.01 mmHg (NIOSH, 2023) |
| LogP | 0.39 |
| Chemical Classes | Nitrogen Compounds -> Nitriles |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
COMPUTED DESCRIPTORS
| Molecular Weight | 128.13 g/mol |
|---|---|
| XLogP3 | 0.8 |
| 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 | 180 |
| 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
M-phthalodinitrile appears as white, crystalline or flaky solid with an almond-like odor. mp: 161-162 °C (sublimes) Density 1.28 g/cm3 (at 25 °C). Insoluble in water. Soluble in benzene and in acetone. Used as an intermediate in the manufacture of polyurethane paints and varnishes, pharmaceuticals, and agricultural chemicals.