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| CAS No.: | 78060-54-5 |
|---|---|
| Name: | 2-CHLOROQUINOLINE-6-CARBONITRILE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C10H5ClN2 |
| Molecular Weight: | 188.616 |
| Synonyms: | 2-Chloroquinoline-6-carbonitrile; |
| Density: | 1.36 g/cm3 |
| Boiling Point: | 352.3 °C at 760 mmHg |
| Flash Point: | 166.9 °C |
| PSA: | 36.68000 |
| LogP: | 2.75988 |
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- Total:17 Page 1 of 1 1
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Specification
The 6-Quinolinecarbonitrile,2-chloro- has the CAS registry number 78060-54-5. This chemical's molecular formula is C10H5ClN2 and molecular weight is 188.61. What's more, its systematic name is 2-Chloroquinoline-6-carbonitrile.
Physical properties of 6-Quinolinecarbonitrile,2-chloro- are: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 32.2; (6)ACD/BCF (pH 7.4): 32.2; (7)ACD/KOC (pH 5.5): 417.78; (8)ACD/KOC (pH 7.4): 417.78; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.68 Å2; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 51.5 cm3; (15)Molar Volume: 138.4 cm3; (16)Polarizability: 20.41×10-24 cm3; (17)Surface Tension: 63.4 dyne/cm; (18)Density: 1.36 g/cm3; (19)Flash Point: 166.9 °C; (20)Enthalpy of Vaporization: 59.71 kJ/mol; (21)Boiling Point: 352.3 °C at 760 mmHg; (22)Vapour Pressure: 3.88E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc2nc(Cl)ccc2c1
(2)InChI: InChI=1S/C10H5ClN2/c11-10-4-2-8-5-7(6-12)1-3-9(8)13-10/h1-5H
(3)InChIKey: FQQBAJVDVDHSSF-UHFFFAOYSA-N