Basic Information | Post buying leads | Suppliers |
Name |
Benzeneacetonitrile,3-chloro-2-fluoro-6-(trifluoromethyl)- |
EINECS | N/A |
CAS No. | 261763-16-0 | Density | 1.437 g/cm3 |
PSA | 23.79000 | LogP | 3.56398 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H4ClF4N | Boiling Point | 241.4 °C at 760 mmHg |
Molecular Weight | 237.584072 | Flash Point | 99.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
benzeneacetonitrile, 3-chloro-2-fluoro-6-(trifluoromethyl)-; 3-Chloro-2-fluoro-6-(trifluoromethyl)phenylacetonitrile |
The CAS register number of Benzeneacetonitrile,3-chloro-2-fluoro-6-(trifluoromethyl)- is 261763-16-0. The systematic name about this chemical is [3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]acetonitrile. The molecular formula about this chemical is C9H4ClF4N and the molecular weight is 237.584072.
Physical properties about Benzeneacetonitrile,3-chloro-2-fluoro-6-(trifluoromethyl)- are: (1)ACD/LogP: 2.69; (2)ACD/LogD (pH 5.5): 2.69; (3)ACD/LogD (pH 7.4): 2.69; (4)ACD/BCF (pH 5.5): 65.23; (5)ACD/BCF (pH 7.4): 65.23; (6)ACD/KOC (pH 5.5): 692.46; (7)ACD/KOC (pH 7.4): 692.46; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 23.79 Å2; (11)Index of Refraction: 1.463; (12)Molar Refractivity: 45.58 cm3; (13)Molar Volume: 165.3 cm3; (14)Polarizability: 18.07x10-24cm3; (15)Surface Tension: 31.7 dyne/cm; (16)Density: 1.437 g/cm3; (17)Flash Point: 99.8 °C; (18)Enthalpy of Vaporization: 47.83 kJ/mol; (19)Boiling Point: 241.4 °C at 760 mmHg; (20)Vapour Pressure: 0.0361 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(c(ccc1Cl)C(F)(F)F)CC#N
(2)InChI: InChI=1/C9H4ClF4N/c10-7-2-1-6(9(12,13)14)5(3-4-15)8(7)11/h1-2H,3H2
(3)InChIKey: WUGOTINVGOAFKL-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H4ClF4N/c10-7-2-1-6(9(12,13)14)5(3-4-15)8(7)11/h1-2H,3H2
(5)Std. InChIKey: WUGOTINVGOAFKL-UHFFFAOYSA-N