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Methoxyacetonitrile

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Name

Methoxyacetonitrile

EINECS 217-092-5
CAS No. 1738-36-9 Density 0.914 g/cm3
PSA 33.02000 LogP 0.15638
Solubility Insoluble in water Melting Point 97 °C
Formula C3H5NO Boiling Point 115.7 °C at 760 mmHg
Molecular Weight 71.0788 Flash Point 31.7 °C
Transport Information UN 1993 3/PG 3 Appearance N/A
Safety 14-36/37 Risk Codes 10-20/21/22
Molecular Structure Molecular Structure of 1738-36-9 (Methoxyacetonitrile) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

Acetonitrile,methoxy- (6CI,7CI,8CI,9CI);2-Methoxyacetonitrile;Cyanomethyl methyl ether;Formaldehyde cyanohydrin methyl ether;Methoxyethanenitrile;Methoxymethyl cyanide;NSC 26905;

Article Data 24

Methoxyacetonitrile 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

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