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| CAS No.: | 1738-36-9 |
|---|---|
| Name: | Methoxyacetonitrile |
| Article Data: | 24 |
| Molecular Structure: | |
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|
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| Formula: | C3H5NO |
| Molecular Weight: | 71.0788 |
| Synonyms: | Acetonitrile,methoxy- (6CI,7CI,8CI,9CI);2-Methoxyacetonitrile;Cyanomethyl methyl ether;Formaldehyde cyanohydrin methyl ether;Methoxyethanenitrile;Methoxymethyl cyanide;NSC 26905; |
| EINECS: | 217-092-5 |
| Density: | 0.914 g/cm3 |
| Melting Point: | 97 °C |
| Boiling Point: | 115.7 °C at 760 mmHg |
| Flash Point: | 31.7 °C |
| Solubility: | Insoluble in water |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 10-20/21/22 |
| Safety: | 14-36/37 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 33.02000 |
| LogP: | 0.15638 |
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Specification
The Methoxyacetonitrile is an organic compound with the formula C3H5NO. The systematic name of this chemical is methoxyacetonitrile. With the CAS registry number 1738-36-9, it is also named as 2-methoxyacetonitrile. The product's categories are C1 to C5; Cyanides/Nitriles; Nitrogen Compounds. Besides, it should be stored in a closed cool and dry place. It is used as organic synthesis intermediates.
Physical properties about Methoxyacetonitrile are: (1)ACD/LogP: -0.61; (2)ACD/LogD (pH 5.5): -0.61; (3)ACD/LogD (pH 7.4): -0.61; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 11.16; (7)ACD/KOC (pH 7.4): 11.16; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 33.02 Å2; (11)Index of Refraction: 1.37; (12)Molar Refractivity: 17.6 cm3; (13)Molar Volume: 77.8 cm3; (14)Polarizability: 6.97×10-24cm3; (15)Surface Tension: 28.3 dyne/cm; (16)Density: 0.913 g/cm3; (17)Flash Point: 31.7 °C; (18)Enthalpy of Vaporization: 35.41 kJ/mol; (19)Boiling Point: 115.7 °C at 760 mmHg; (20)Vapour Pressure: 18.8 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. Besides, this chemical is flammable. When you are using it, wear suitable protective clothing and gloves and keep away from ... (incompatible materials to be indicated by the manufacturer).
You can still convert the following datas into molecular structure:
(1)SMILES: N#CCOC
(2)InChI: InChI=1/C3H5NO/c1-5-3-2-4/h3H2,1H3
(3)InChIKey: QKPVEISEHYYHRH-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3
(5)Std. InChIKey: QKPVEISEHYYHRH-UHFFFAOYSA-N