4-Aminophenylacetonitrile CAS 3544-25-0
Introduction：Basic information about 4-Aminophenylacetonitrile CAS 3544-25-0, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-Aminophenylacetonitrile Basic information
| Product Name: | 4-Aminophenylacetonitrile |
| Synonyms: | 2-(4-AMINOPHENYL)ACETONITRILE;4-AMINOBENZYL CYANIDE;4-AMINOPHENYLACETONITRILE;AKOS 220-20;P-AMINOPHENYLACETONITRILE;P-AMINOBENZYL CYANIDE;TIMTEC-BB SBB004218;aminophenylacetonitrile |
| CAS: | 3544-25-0 |
| MF: | C8H8N2 |
| MW: | 132.16 |
| EINECS: | 222-587-4 |
| Product Categories: | Phenyls & Phenyl-Het;Phenyls & Phenyl-Het;Aromatic Nitriles;3544-25-0 |
| Mol File: | 3544-25-0.mol |
4-Aminophenylacetonitrile Chemical Properties
| Melting point | 45-48 °C(lit.) |
| Boiling point | 312 °C(lit.) |
| density | 1.4747 (rough estimate) |
| refractive index | 1.6231 (estimate) |
| Fp | >230 °F |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | soluble in Methanol |
| pka | 4.25±0.10(Predicted) |
| form | Crystalline Powder, Crystals or Chunks |
| color | Yellow to brown |
| Water Solubility | SLIGHTLY SOLUBLE |
| BRN | 1100108 |
| Exposure limits | NIOSH: IDLH 25 mg/m3 |
| InChI | 1S/C8H8N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5,10H2 |
| InChIKey | YCWRFIYBUQBHJI-UHFFFAOYSA-N |
| SMILES | Nc1ccc(CC#N)cc1 |
| CAS DataBase Reference | 3544-25-0(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Aminophenylacetic acid nitrile(3544-25-0) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 20/21/22 |
| Safety Statements | 36-36/37 |
| RIDADR | 3276 |
| WGK Germany | 3 |
| Hazard Note | Harmful |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29269095 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |
| Chemical Properties | yellow to brown crystalline powder, crystals |
| Uses | 4-Aminobenzyl Cyanide can be used to prevent or treat influenza. |
| Synthesis Reference(s) | Synthetic Communications, 22, p. 3189, 1992 DOI: 10.1080/00397919208021132 |
| Synthesis | P-Nitrophenylacetonitrile (10 g, 61.67 mmol) was dissolved in methanol (50 mL). Add 10 per cent Pd/C (1.0g), Replace the reaction system four times with H2, and Stir at room temperature overnight in an H2 environment (0.5 MPa).TLC analysis, the reaction was complete, and the reaction solution was filtered through celite. The filtrate was concentrated under reduced pressure to give 8.08g of 4-Aminophenylacetonitrile; the yield was 99.1 per cent. |
| References | [1] Tetrahedron Letters, 1984, vol. 25, # 45, p. 5219 - 5222 [2] Tetrahedron Letters, 1984, vol. 25, # 45, p. 5219 - 5222 [3] Organometallics, 2017, vol. 36, # 16, p. 3110 - 3116 [4] Applied Organometallic Chemistry, 2018, vol. 32, # 1, [5] Tetrahedron Letters, 2001, vol. 42, # 12, p. 2285 - 2288 |
4-Aminophenylacetonitrile Preparation Products And Raw materials
| Raw materials | p-Nitrophenylacetonitrile-->Activated carbon-->Palladium-->Methanol-->Hydrogen |
| Preparation Products | 4-Hydroxyphenylacetamide-->4-ACETAMIDOPHENYLACETONITRILE-->1-(CHLOROMETHYL)-3,5-BIS(METHYLSULFONYL)BENZENE-->6-Benzothiazoleacetonitrile,2-amino-(9CI)-->Benzyl N-[4-(cyanomethyl)phenyl]carbamate-->(4-amino-3,5-dichlorophenyl)acetonitrile-->4-(1H-Tetrazol-5-ylmethyl)aniline-->2-CHLORO-N-[4-(CYANOMETHYL)PHENYL]ACETAMIDE-->(4-AMINO-3-BROMO-PHENYL)-ACETONITRILE-->(4-hydrazinophenyl)acetonitrile-->4-(N-BOC-AMinophenyl)acetonitrile |
