Phthalonitrile
- Product NamePhthalonitrile
- CAS91-15-6
- CBNumberCB2773751
- MFC8H4N2
- MW128.13
- EINECS202-044-8
- MDL NumberMFCD00001771
- MOL File91-15-6.mol
Chemical Properties
| Melting point: | 137-139 °C (lit.) |
| Boiling point: | 227.54°C (rough estimate) |
| Density | 1.24 |
| bulk density | 500kg/m3 |
| vapor pressure | <1 Pa (25 °C) |
| refractive index | 1.6231 (estimate) |
| Flash point: | 162°C |
| storage temp. | Store below +30°C. |
| solubility | benzene: 50 mg/mL, clear |
| form | Crystals or Crystalline Powder |
| color | White to beige |
| PH | 7 (H2O) |
| Water Solubility | 0.56 g/L (25 ºC) |
| BRN | 775028 |
| Henry's Law Constant | 2.0×101 mol/(m3Pa) at 25℃, HSDB (2015) |
| Exposure limits | ACGIH: TWA 1 mg/m3 |
| Stability: | Stable. Incompatible with strong bases, strong acids, strong oxidizing agents, strong reducing agents. |
| InChI | 1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H |
| InChIKey | XQZYPMVTSDWCCE-UHFFFAOYSA-N |
| SMILES | N#Cc1ccccc1C#N |
| CAS DataBase Reference | 91-15-6(CAS DataBase Reference) |
| NIST Chemistry Reference | Phthalonitrile(91-15-6) |
| EPA Substance Registry System | 1,2-Benzenedicarbonitrile (91-15-6) |
Safety
| Symbol(GHS) |
 GHS06 |
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| Signal word | Danger | |||||||||
| Hazard statements | H301-H412 | |||||||||
| Precautionary statements | P264-P270-P273-P301+P310-P405-P501 | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges | |||||||||
| Hazard Codes | T | |||||||||
| Risk Statements | 25-23/24/25 | |||||||||
| Safety Statements | 36/37/39-45-28A | |||||||||
| RIDADR | UN 3439 6.1/PG 2 | |||||||||
| WGK Germany | 1 | |||||||||
| RTECS | TI8575000 | |||||||||
| Autoignition Temperature | >580 °C | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 29269095 | |||||||||
| Storage Class |
6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
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| Hazard Classifications |
Acute Tox. 3 Oral Aquatic Chronic 3 |
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| Hazardous Substances Data | 91-15-6(Hazardous Substances Data) | |||||||||
| Toxicity | LD50 orally in Rabbit: 85 mg/kg | |||||||||
| REACH Registrations | Active | |||||||||
| Limited Quantities | 0.5 Kg (solid) | |||||||||
| Excepted Quantities | Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml) | |||||||||
| NFPA 704: |
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