Introduction：Basic information about 3-NITROPHENYLACETONITRILE CAS 621-50-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3-NITROPHENYLACETONITRILE Basic information
| Product Name: | 3-NITROPHENYLACETONITRILE |
| Synonyms: | 3-NITROPHENYLACETONITRILE;m-nitrobenzylcyanide;m-Nitro-phenylacetonitrile;3-Nitrophenylaceonitrile;3-nitrobenzylcyanide;Acetonitrile, (m-nitrophenyl)-;NSC 91037;2-(3-nitrophenyl)ethanenitrile |
| CAS: | 621-50-1 |
| MF: | C8H6N2O2 |
| MW: | 162.15 |
| EINECS: | 210-689-1 |
| Product Categories: | Building Blocks;C8 to C9;Aromatics Compounds;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks;Aromatics;C8 to C9;Cyanides/Nitriles;Nitrogen Compounds |
| Mol File: | 621-50-1.mol |
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3-NITROPHENYLACETONITRILE Chemical Properties
| Melting point | 60-62 °C(lit.) |
| Boiling point | 180 °C3 mm Hg(lit.) |
| density | 1.3264 (rough estimate) |
| refractive index | 1.5770 (estimate) |
| storage temp. | -20°C Freezer |
| solubility | Chloroform, Ethyl Acetate |
| form | Solid |
| color | Pale Yellow to Light Brown |
| InChI | 1S/C8H6N2O2/c9-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4H2 |
| InChIKey | WAVKEPUFQMUGBP-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1cccc(CC#N)c1 |
| CAS DataBase Reference | 621-50-1(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn,Xi |
| Risk Statements | 20/21/22 |
| Safety Statements | 36 |
| WGK Germany | 3 |
| RTECS | AM1247000 |
| HazardClass | IRRITANT-HARMFUL |
| HS Code | 2926907090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral |
3-NITROPHENYLACETONITRILE Usage And Synthesis
| Chemical Properties | Pale Yellow Solid |
| Uses | 3-Nitrophenylacetonitrile (cas# 621-50-1) is a compound useful in organic synthesis. |
| General Description | 3-Nitrophenylacetonitrile is a builing block. Reactions of 3-nitrophenylacetonitrile with isopropyl alcohol, cyclohexyl alcohol and benzyl alcohol at high temperature have been reported. |
3-NITROPHENYLACETONITRILE Preparation Products And Raw materials
| Raw materials | Benzene, 1-[(methoxymethoxy)methyl]-3-nitro--->3-Nitrobenzyl chloride-->TETRABUTYLAMMONIUM CYANIDE |
| Preparation Products | Methyl 3-nitrophenylacetate-->3-Aminophenylacetic acid-->1-(3-Nitro-phenyl)-cyclopropanecarbonitrile |
