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CAS No.: | 145241-75-4 |
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Name: | 6,8-DIFLUOROQUINOLINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H5F2N |
Molecular Weight: | 165.142 |
Synonyms: | 6,8-Difluoroquinoline;NSC 137131; |
Density: | 1.319 g/cm3 |
Boiling Point: | 235 °C at 760 mmHg |
Flash Point: | 95.9 °C |
PSA: | 12.89000 |
LogP: | 2.51300 |
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The 6,8-Difluoroquinoline, with the CAS registry number 145241-75-4, is also known as Quinoline, 6,8-difluoro-. This chemical's molecular formula is C9H5F2N and molecular weight is 165.10. Its IUPAC name is called 6,8-difluoroquinoline.
Physical properties of 6,8-Difluoroquinoline: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Index of Refraction: 1.588; (7)Molar Refractivity: 42.17 cm3; (8)Molar Volume: 125.1 cm3; (9)Surface Tension: 42.4 dyne/cm; (10)Density: 1.319 g/cm3; (11)Flash Point: 95.9 °C; (12)Enthalpy of Vaporization: 45.26 kJ/mol; (13)Boiling Point: 235 °C at 760 mmHg; (14)Vapour Pressure: 0.0783 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=CC(=CC(=C2N=C1)F)F
(2)InChI: InChI=1S/C9H5F2N/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h1-5H
(3)InChIKey: TWMLBTXFCAIQRJ-UHFFFAOYSA-N