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Alfa Aesar |
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| | 2,4,6-Trimethylphenylacetonitrile Basic information |
| Product Name: | 2,4,6-Trimethylphenylacetonitrile | | Synonyms: | Mesitylacetonitrile
2,4,6-Trimethylphenylacetonitrile;BENZENEACETONITRILE, 2,4,6-TRIMETHYL-;MESITYLACETONITRILE;2,4,6-TRIMETHYL BENZYL CYANIDE;2,4,6-TRIMETHYLPHENYLACETONITRILE;Mesitylacetonitrile,98%;2-(2,4,6-Trimethylphenyl)acetonitrile;2,4,6-Trimethylbenzeneacetonitrile | | CAS: | 34688-71-6 | | MF: | C11H13N | | MW: | 159.23 | | EINECS: | 252-151-9 | | Product Categories: | pharmacetical;Aromatic Nitriles | | Mol File: | 34688-71-6.mol |  |
| | 2,4,6-Trimethylphenylacetonitrile Chemical Properties |
| Melting point | 76-80 °C(lit.) | | Boiling point | 120 °C (1 mmHg) | | density | 1.0293 (rough estimate) | | refractive index | 1.5466 (estimate) | | Fp | 120°C/1mm | | storage temp. | Sealed in dry,Room Temperature | | solubility | Chloroform (Slightly), Methanol (Slightly) | | form | Solid | | color | White to Off-White | | BRN | 1942677 | | Exposure limits | NIOSH: IDLH 25 mg/m3 | | InChI | 1S/C11H13N/c1-8-6-9(2)11(4-5-12)10(3)7-8/h6-7H,4H2,1-3H3 | | InChIKey | SDKQOGSGNPGPRN-UHFFFAOYSA-N | | SMILES | Cc1cc(C)c(CC#N)c(C)c1 | | CAS DataBase Reference | 34688-71-6(CAS DataBase Reference) | | NIST Chemistry Reference | 2,4,6-Trimethylbenzyl cyanide(34688-71-6) |
| Hazard Codes | Xn | | Risk Statements | 20/21/22 | | Safety Statements | 22-26-36 | | RIDADR | 3276 | | WGK Germany | 3 | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29269095 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral |
| | 2,4,6-Trimethylphenylacetonitrile Usage And Synthesis |
| Chemical Properties | white to off-white crystals or crystalline powder | | Uses | 2-Mesitylacetonitrile, is an organic building block used in the synthesis of more complex compounds, such as Spiromesifen Metabolite (M225645). It can also be used in the novel synthetic route for the Anti-HIV Drug MC-1220 and its analogues. | | Uses | 2,4,6-Trimethylphenylacetonitrile (Mesitylacetonitrile) may be used in the preparation of 2,4,6-trimethyl-,9-phenethylamine hydrochloride. It may also be employed in the synthesis of the following compounds:
- ethyl mesitylacetate
- α-mesitylacetoacetonitrile
- mesitylacetone
- β-hydroxy-a-mesitylacrylonitrile
- α-mesitylpropionic acid
- α-mesityl-8-phenylpropionitrile
| | General Description | 2,4,6-Trimethylphenylacetonitrile is formed as an intermediate during the synthesis of mesitylacetic acid. |
| | 2,4,6-Trimethylphenylacetonitrile Preparation Products And Raw materials |
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