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53778-71-5

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Basic Information
CAS No.: 53778-71-5
Name: 3-chlorobutyronitrile
Article Data: 13
Molecular Structure:
Molecular Structure of 53778-71-5 (3-chlorobutyronitrile)
Formula: C4H6ClN
Molecular Weight: 103.551
Synonyms: Butyronitrile,3-chloro- (6CI);3-Chlorobutanenitrile;3-Chlorobutyronitrile;
EINECS: 258-762-7
Density: 1.038 g/cm3
Boiling Point: 180 °C at 760 mmHg
Flash Point: 70.6 °C
PSA: 23.79000
LogP: 1.52738
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    53778-71-5

    3-chlorobutyronitrile

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    Butanenitrile,3-chloro-

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  • Butanenitrile,3-chloro-

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    Butanenitrile,3-chloro-

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    Butanenitrile,3-chloro-

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    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for he synthesis of various pesticides, medicines, surfactants, polymer monomers, Ond Ontifungal agents

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  • 3-CHLOROBUTANENITRILE

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    3-CHLOROBUTANENITRILE

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    3-CHLOROBUTANENITRILEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The Butanenitrile,3-chloro-, with the CAS registry number 53778-71-5, is also known as 3-Chlorobutyronitrile. Its EINECS number is 258-762-7. This chemical's molecular formula is C4H6ClN and molecular weight is 103.55. What's more, its systematic name is 3-chlorobutanenitrile. 

Physical properties of Butanenitrile,3-chloro- are: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.53; (4)ACD/BCF (pH 5.5): 1.48; (5)ACD/KOC (pH 5.5): 46.09; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 23.79 Å2; (10)Index of Refraction: 1.421; (11)Molar Refractivity: 25.3 cm3; (12)Molar Volume: 99.7 cm3; (13)Polarizability: 10.03×10-24cm3; (14)Surface Tension: 31 dyne/cm; (15)Density: 1.038 g/cm3; (16)Flash Point: 70.6 °C; (17)Enthalpy of Vaporization: 41.63 kJ/mol; (18)Boiling Point: 180 °C at 760 mmHg; (19)Vapour Pressure: 0.915 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(C)CC#N
(2)InChI: InChI=1S/C4H6ClN/c1-4(5)2-3-6/h4H,2H2,1H3
(3)InChIKey: USFXKDONTUYBAU-UHFFFAOYSA-N