Introduction：Basic information about 1,3-Dicyanobenzene CAS 626-17-5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
1,3-Dicyanobenzene Basic information
| Product Name: | 1,3-Dicyanobenzene |
| Synonyms: | M-PHTHALONITRILE;1,3-Benzendikarbonitril;1,3-benzenedicarbonitrile;1,3-Benzodinitrile;1,3-Dicyanobenzene 98%;1,3-Dicyanobenzene,98%;Between the benzene nitrile;1,4-bis((9H-carbazol-9-yl)Methyl)benzene |
| CAS: | 626-17-5 |
| MF: | C8H4N2 |
| MW: | 128.13 |
| EINECS: | 210-933-7 |
| Product Categories: | Fine Chemical;Aromatic Nitriles |
| Mol File: | 626-17-5.mol |
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1,3-Dicyanobenzene Chemical Properties
| Melting point | 163-165 °C(lit.) |
| Boiling point | 288 °C |
| bulk density | 500kg/m3 |
| density | 0,992 g/cm3 |
| vapor pressure | 13.332Pa at 50℃ |
| refractive index | 1.6231 (estimate) |
| Fp | 288°C |
| storage temp. | Store below +30°C. |
| solubility | 0.7g/l |
| form | Flakes |
| color | White to tan |
| Water Solubility | 0.7 g/L (20 ºC) |
| BRN | 1072209 |
| Exposure limits | ACGIH: TWA 5 mg/m3
NIOSH: TWA 5 mg/m3 |
| InChI | 1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H |
| InChIKey | LAQPNDIUHRHNCV-UHFFFAOYSA-N |
| SMILES | N#Cc1cccc(c1)C#N |
| LogP | 1.5 at 25℃ |
| CAS DataBase Reference | 626-17-5(CAS DataBase Reference) |
| NIST Chemistry Reference | 1,3-Benzenedicarbonitrile(626-17-5) |
| EPA Substance Registry System | 1,3-Dicyanobenzene (626-17-5) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22-20/22 |
| Safety Statements | 22-24/25-36/37/39-26 |
| RIDADR | 2811 |
| OEB | B |
| OEL | TWA: 5 mg/m3 |
| WGK Germany | 1 |
| RTECS | CZ1900000 |
| TSCA | TSCA listed |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| HS Code | 29269020 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |
| Hazardous Substances Data | 626-17-5(Hazardous Substances Data) |
1,3-Dicyanobenzene Usage And Synthesis
| Description | 1,3-Dicyanobenzene 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. |
| Chemical Properties | off-white to light brown solid |
| Uses | An intermediate in the manufacture ofpaints, varnishes, and agricultural chemicals. |
| Uses | 1,3-Dicyanobenzene was used in the synthesis of oxazolines and 1,3-bis-(4,4-dimethyl-2-oxazolinyl)benzene. |
| Definition | ChEBI: Isophthalonitrile is a nitrile. It is functionally related to an isophthalic acid. |
| General Description | White, crystalline or flaky solid with an almond-like odor. Mp:161-2°C (sublimes) Density 1.28 g cm-3 (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. |
| Reactivity Profile | 1,3-Dicyanobenzene is a combustible solid. Emits toxic fumes of NOx and CN- when heated to decomposition. Incompatible with strong oxidizing agents. |
| Health Hazard | m-Phthalodinitrile is a skin irritant in animals.In humans there have been no reports ofadverse effects. The probable reason for lack of systemic effects is that aromatic, unlikealiphatic, nitriles do not liberate cyanide in thebody. |
| Flammability and Explosibility | Not classified |
| Safety Profile | Poison by ingestion. Aneye irritant. When heated to decompositionit emits toxic fumes of NOx and CN-. Seealso NITRILES. |
1,3-Dicyanobenzene Preparation Products And Raw materials
| Raw materials | Ammonia-->m-Xylene-->HYDROGEN CYANIDE-->1,3-Dichlorobenzene-->Isophthalic acid-->Cyclone separator-->Heat exchanger |
| Preparation Products | Isophthalic acid-->Chlorothalonil-->PERFLUOROCYCLOHEXANE-->3,5-Dicyanofluorobenzene-->3-(2H-TETRAZOL-5-YL)BENZONITRILE-->IsophthalaMidoxiMe, 97% |
