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| CAS No.: | 926-64-7 |
|---|---|
| Name: | Dimethylaminoacetonitrile |
| Article Data: | 38 |
| Molecular Structure: | |
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|
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| Formula: | C4H8N2 |
| Molecular Weight: | 84.1209 |
| Synonyms: | Acetonitrile,(dimethylamino)- (8CI,9CI);Glycinonitrile, N,N-dimethyl- (6CI,7CI);(Dimethylamino)acetonitrile;2-(Dimethylamino)acetonitrile;Dimethylcyanomethylamine;N-(Cyanomethyl)dimethylamine;NSC 148364; |
| EINECS: | 213-140-4 |
| Density: | 0.883 g/cm3 |
| Melting Point: | 135-138 °C |
| Boiling Point: | 137.5 °C at 760 mmHg |
| Flash Point: | 33 °C |
| Solubility: | soluble in water |
| Appearance: | Clear colourless liquid |
| Hazard Symbols: |
 T+
|
| Risk Codes: | 10-25-27-36-23/25 |
| Safety: | 16-26-28-45-38-36/37/39 |
| Transport Information: | UN 2378 3/PG 2 |
| PSA: | 27.03000 |
| LogP: | 0.07158 |
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Cyanide and its compounds are on the Community Right-To-Know List.
Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid, Poison
Specification
The Dimethylaminoacetonitrile, with the CAS registry number 926-64-7, is also known as N-(Cyanomethyl)dimethylamine. It belongs to the product category of Pharmaceutical Intermediates. Its EINECS registry number is 213-140-4. This chemical's molecular formula is C4H8N2 and molecular weight is 84.11972. Its IUPAC name is called 2-(dimethylamino)acetonitrile. This chemical's classification code is Skin / Eye Irritant. The product should be sealed and stored in cool, dry place. This chemical is clear colourless liquid.
Physical properties of Dimethylaminoacetonitrile: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Index of Refraction: 1.422; (5)Molar Refractivity: 24.21 cm3; (6)Molar Volume: 95.1 cm3; (7)Surface Tension: 31.3 dyne/cm; (8)Density: 0.883 g/cm3; (9)Flash Point: 33 °C; (10)Enthalpy of Vaporization: 37.48 kJ/mol; (11)Boiling Point: 137.5 °C at 760 mmHg; (12)Vapour Pressure: 7.03 mmHg at 25°C.
Preparation: this chemical can be prepared by trimethylamine and hydrocyanic acid; sodium salt. This reaction will need reagent ClO2 and solvents acetonitrile, H2O. The reaction needs the pH: 12 +/- 0.3. The yield is about 67%.
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Uses of Dimethylaminoacetonitrile: it can be used to produce Dimethylaminothioacetamid. This reaction will need reagents H2S, NH3 and solvent ethanol.
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When you are using this chemical, please be cautious about it as the following:
This chemical that at very low level can cause damage to health. It is flammable. In addition, it is toxic by inhalation and if swallowed. 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, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C)CC#N
(2)InChI: InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3
(3)InChIKey: PLXBWEPPAAQASG-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | 32mg/kg (32mg/kg) | National Technical Information Service. Vol. OTS0539238, | |
| rabbit | LDLo | ocular | 100mg/kg (100mg/kg) | SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE | United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. FYI-OTS-0483-0238, |
| rat | LCLo | inhalation | 250ppm/4H (250ppm) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
| rat | LD50 | oral | 50mg/kg (50mg/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. |