Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Butanenitrile,3-chloro- |
EINECS | 258-762-7 |
CAS No. | 53778-71-5 | Density | 1.038 g/cm3 |
PSA | 23.79000 | LogP | 1.52738 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H6ClN | Boiling Point | 180 °C at 760 mmHg |
Molecular Weight | 103.551 | Flash Point | 70.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Butyronitrile,3-chloro- (6CI);3-Chlorobutanenitrile;3-Chlorobutyronitrile; |
Article Data | 13 |
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