4-Aminophthalonitrile
Synonym(s):3,4-Dicyanoaniline
- CAS NO.：56765-79-8
- Empirical Formula: C8H5N3
- Molecular Weight: 143.15
- MDL number: MFCD00041741
- EINECS: 260-370-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:19:32
What is 4-Aminophthalonitrile?
Chemical properties
orange crystalline powder
Flammability and Explosibility
Not classified
Synthesis
45 mL of methanol and 9.6 mL of concentrated HCl were stirred in a round-bottomed flask. 2.02 g (145 mmol) of 4-nitrophthalonitrile was added into this
medium. The mixture was heated to reflux. 4-Nitrophthalonitrile dissolved in this
step. Iron powder (2.21 g, 39.2 mmol) was added in portions within an hour. The
color of solution changed to yellow-brown. After the addition of iron has been
completed, the reaction medium was continued to stir at reflux temperature for
another hour. The reaction medium was cooled to room temperature. It was precipitated with 60 mL of water. The precipitate was filtered and washed with
copious amount of water. Molecular formula: H2NC6H3-1,2-(CN)2. Yield: 1.4 g
(81.59%).
Properties of 4-Aminophthalonitrile
| Melting point: | 179-181 °C(lit.) |
| Boiling point: | 251.23°C (rough estimate) |
| Density | 1.2597 (rough estimate) |
| vapor pressure | 0.017Pa at 25℃ |
| refractive index | 1.5400 (estimate) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | soluble in Methanol |
| form | Crystalline Powder |
| pka | -0.09±0.10(Predicted) |
| color | Orange |
| Water Solubility | Insoluble |
| BRN | 2937382 |
| CAS DataBase Reference | 56765-79-8(CAS DataBase Reference) |
| EPA Substance Registry System | 1,2-Benzenedicarbonitrile, 4-amino- (56765-79-8) |
Safety information for 4-Aminophthalonitrile
| Signal word | Danger |
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H311:Acute toxicity,dermal H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P321:Specific treatment (see … on this label). P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P501:Dispose of contents/container to..… |
Computed Descriptors for 4-Aminophthalonitrile
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