3-Quinolinecarbonitrile,4-chloro-6-fluoro- supplier

Name
4-CHLORO-6-FLUORO-QUINOLINE-3-CARBONITRILE
EINECS
CAS No. 886362-73-8
Article Data1
CAS DataBase
Density 1.44g/cm³
Solubility
Melting Point
Formula C₁₀H₄ClFN₂
Boiling Point 351.7 °C at 760 mmHg
Molecular Weight 206.607
Flash Point 166.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Quinolinecarbonitrile, 4-chloro-6-fluoro-;4-Chloro-6-fluoro-quinoline-3-ca;4-Chloro-6-fluoro-3-quinolinecarbonitrile
PSA 36.68000
LogP 2.89898

3-Quinolinecarbonitrile,4-chloro-6-fluoro- Specification

The 3-Quinolinecarbonitrile,4-chloro-6-fluoro-, with CAS registry number 886362-73-8, belongs to the following product category: Quinoline & Isoquinoline. It has the systematic name of 4-chloro-6-fluoro-quinoline-3-carbonitrile. And the chemical formula of this chemical is C₁₀H₄ClFN₂.

Physical properties of 3-Quinolinecarbonitrile,4-chloro-6-fluoro-: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 2.28; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 36.68 Å²; (9)Index of Refraction: 1.64; (10)Molar Refractivity: 51.61 cm³; (11)Molar Volume: 143.1 cm³; (12)Polarizability: 20.46×10^-24cm³; (13)Surface Tension: 59.7 dyne/cm; (14)Density: 1.44 g/cm³; (15)Flash Point: 166.5 °C; (16)Enthalpy of Vaporization: 59.64 kJ/mol; (17)Boiling Point: 351.7 °C at 760 mmHg; (18)Vapour Pressure: 4.04E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc2ncc(C#N)c(Cl)c2c1
(2)InChI: InChI=1/C10H4ClFN2/c11-10-6(4-13)5-14-9-2-1-7(12)3-8(9)10/h1-3,5H
(3)InChIKey: OKGBGMNVXKHICZ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H4ClFN2/c11-10-6(4-13)5-14-9-2-1-7(12)3-8(9)10/h1-3,5H
(5)Std. InChIKey: OKGBGMNVXKHICZ-UHFFFAOYSA-N

Product Name

4-CHLORO-6-FLUORO-QUINOLINE-3-CARBONITRILE

3-Quinolinecarbonitrile,4-chloro-6-fluoro- Specification

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