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Name |
Benzonitrile,3-chloro-2,6-difluoro- |
EINECS | N/A |
CAS No. | 86225-73-2 | Density | 1.43g/cm3 |
PSA | 23.79000 | LogP | 2.48988 |
Solubility | Not miscible or difficult to mix with water. | Melting Point |
N/A |
Formula | C7H2ClF2N | Boiling Point | 198 °C at 760 mmHg |
Molecular Weight | 173.549 | Flash Point | 73.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Chloro-2,6-difluorobenzonitrile; |
Article Data | 2 |
The Benzonitrile,3-chloro-2,6-difluoro-, with CAS registry number 86225-73-2, has the systematic name of 3-chloro-2,6-difluorobenzonitrile. And its IUPAC name is the same one. Its molecular weight is 173.55. And the chemical formula of this chemical is C7H2ClF2N.
Physical properties of Benzonitrile,3-chloro-2,6-difluoro-: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.37; (6)ACD/BCF (pH 7.4): 25.37; (7)ACD/KOC (pH 5.5): 352.2; (8)ACD/KOC (pH 7.4): 352.2; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 36.37 cm3; (15)Molar Volume: 120.9 cm3; (16)Polarizability: 14.41×10-24cm3; (17)Surface Tension: 40.3 dyne/cm; (18)Density: 1.43 g/cm3; (19)Flash Point: 73.6 °C; (20)Enthalpy of Vaporization: 43.42 kJ/mol; (21)Boiling Point: 198 °C at 760 mmHg; (22)Vapour Pressure: 0.367 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(C#N)c(F)ccc1Cl
(2)InChI: InChI=1/C7H2ClF2N/c8-5-1-2-6(9)4(3-11)7(5)10/h1-2H
(3)InChIKey: QYALCKFGISNFMJ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7H2ClF2N/c8-5-1-2-6(9)4(3-11)7(5)10/h1-2H
(5)Std. InChIKey: QYALCKFGISNFMJ-UHFFFAOYSA-N