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Cyclopropaneacetonitrile,1-(hydroxymethyl)- (152922-71-9)

Identification
Name:Cyclopropaneacetonitrile,1-(hydroxymethyl)-
Synonyms:[1-(Hydroxymethyl)cyclopropyl]acetonitrile;
CAS:152922-71-9
Molecular Formula: C6H9NO
Molecular Weight: 111.14
InChI: InChI=1/C6H9NO/c7-4-3-6(5-8)1-2-6/h8H,1-3,5H2
Molecular Structure: (C6H9NO) [1-(Hydroxymethyl)cyclopropyl]acetonitrile;
Properties
Melting Point: 70-71 °C
Flash Point: 102.1°C
Boiling Point: 245.1°Cat760mmHg
Density:1.098g/cm3
Refractive index:1.489
Appearance:white crystals
Specification:

This chemical is an organic compound with the formula C6H9NO. The systematic name is [1-(hydroxymethyl)cyclopropyl]acetonitrile. With the CAS registry number 152922-71-9, it is also named as cyclopropaneacetonitrile, 1-(hydroxymethyl)-; [1-(Hydroxymethyl)cyclopropyl]acetonitrile 97%; 1,1-cyclopropane dimethanol cylic sufite. The product's categories is ring systems. It is white crystal which is used as intermediates of new drug Montelukast.   

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.66; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.489; (7)Molar Refractivity: 29.21 cm3; (8)Molar Volume: 101.197 cm3; (9)Polarizability: 11.58 10-24cm3; (10)Surface Tension: 56.946 dyne/cm; (11)Enthalpy of Vaporization: 56.034 kJ/mol; (12)Vapour Pressure: 0.005 mmHg at 25°C.

People can use the following data to convert to the molecule structure. SMILES: N#CCC1(CO)CC1; InChI: InChI=1/C6H9NO/c7-4-3-6(5-8)1-2-6/h8H,1-3,5H2; InChIKey: WYOMLUMUVAPMKE-UHFFFAOYAK. 1-(Hydroxymethyl)cyclopropane acetonitrile has many suppliers, such as Shanghai Growingchem Co., Ltd.. The price of this product changes with the market.

Flash Point: 102.1°C
Safety Data