Benzonitrile,3-chloro-2,6-difluoro- supplier

Name
3-CHLORO-2,6-DIFLUOROBENZONITRILE
EINECS
CAS No. 86225-73-2
Article Data2
CAS DataBase
Density 1.43g/cm³
Solubility Not miscible or difficult to mix with water.
Melting Point
Formula C₇H₂ClF₂N
Boiling Point 198 °C at 760 mmHg
Molecular Weight 173.549
Flash Point 73.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Chloro-2,6-difluorobenzonitrile;
PSA 23.79000
LogP 2.48988

Benzonitrile,3-chloro-2,6-difluoro- Specification

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

Product Name

3-CHLORO-2,6-DIFLUOROBENZONITRILE

Benzonitrile,3-chloro-2,6-difluoro- Specification

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