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| CAS No.: | 7391-40-4 |
|---|---|
| Name: | N,N-Dimethylcyanoacetamide |
| Article Data: | 19 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H8N2O |
| Molecular Weight: | 112.131 |
| Synonyms: | N,N-Dimethyl-2-cyanoacetamide;NSC71378;N,N-Dimethylcyanoacetamide; |
| EINECS: | -0 |
| Density: | 1.03 g/cm3 |
| Melting Point: | 59-62 °C |
| Boiling Point: | 228.8 °C at 760 mmHg |
| Flash Point: | 92.2 °C |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 37/39-26-22 |
| PSA: | 44.10000 |
| LogP: | -0.01172 |
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Specification
The 2-Cyano-N,N-dimethylacetamide, with the CAS registry number 7391-40-4, is also known as N,N-Dimethyl-2-cyanoacetamide. It belongs to the product category of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. This chemical's molecular formula is C5H8N2O and molecular weight is 112.13. Its IUPAC name is called 2-cyano-N,N-dimethylacetamide. This chemical is white crystalline powder.
Physical properties of 2-Cyano-N,N-dimethylacetamide: (1)ACD/LogP: -1.27; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 1; (4)Index of Refraction: 1.443; (5)Molar Refractivity: 28.87 cm3; (6)Molar Volume: 108.8 cm3; (7)Surface Tension: 37.9 dyne/cm; (8)Density: 1.03 g/cm3; (9)Flash Point: 92.2 °C; (10)Enthalpy of Vaporization: 46.54 kJ/mol; (11)Boiling Point: 228.8 °C at 760 mmHg; (12)Vapour Pressure: 0.0721 mmHg at 25°C.
Preparation: this chemical can be prepared by dimethylamine and cyanoacetic acid ethyl ester. This reaction will need reagent sodium ethylate and ethanol.
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Uses of 2-Cyano-N,N-dimethylacetamide: it can be used to produce 2-benzoyl-3-dimethylamino-3-hydroxyacrylonitrile at ambient temperature. This reaction will need reagent NaH and solvent tetrahydrofuran with reaction time of 1.5 hours. The yield is about 60%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes and may cause damage to health. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C)C(=O)CC#N
(2)InChI: InChI=1S/C5H8N2O/c1-7(2)5(8)3-4-6/h3H2,1-2H3
(3)InChIKey: MATJPVGBSAQWAC-UHFFFAOYSA-N