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| CAS No.: | 886362-73-8 |
|---|---|
| Name: | 4-CHLORO-6-FLUORO-QUINOLINE-3-CARBONITRILE |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C10H4ClFN2 |
| Molecular Weight: | 206.607 |
| Synonyms: | 3-Quinolinecarbonitrile, 4-chloro-6-fluoro-;4-Chloro-6-fluoro-quinoline-3-ca;4-Chloro-6-fluoro-3-quinolinecarbonitrile |
| Density: | 1.44g/cm3 |
| Boiling Point: | 351.7 °C at 760 mmHg |
| Flash Point: | 166.5 °C |
| PSA: | 36.68000 |
| LogP: | 2.89898 |
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- Total:23 Page 1 of 1 1
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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