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851178-98-8

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Basic Information
CAS No.: 851178-98-8
Name: 3-Chloro-4,5-difluoropyridine
Molecular Structure:
Molecular Structure of 851178-98-8 (3-Chloro-4,5-difluoropyridine)
Formula: C5H2ClF2N
Molecular Weight: 149.527
Synonyms: 3-Chloro-4,5-difluoropyridine
Density: 1.451g/cm3
Boiling Point: 136 °C at 760 mmHg
Flash Point: 36.1 °C
PSA: 12.89000
LogP: 2.01320
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Specification

The 3-Chloro-4,5-difluoropyridine, with CAS registry number 851178-98-8, has the systematic name of 3-chloro-4,5-difluoro-pyridine. Besides this, it is also called pyridine, 3-chloro-4,5-difluoro-. Its molecular weight is 149.5258864. And the chemical formula of this chemical is C5H2ClF2N.

Physical properties of 3-Chloro-4,5-difluoropyridine: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.24; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 12.89 Å2; (9)Index of Refraction: 1.479; (10)Molar Refractivity: 29.22 cm3; (11)Molar Volume: 103 cm3; (12)Polarizability: 11.58×10-24cm3; (13)Surface Tension: 35.5 dyne/cm; (14)Density: 1.451 g/cm3; (15)Flash Point: 36.1 °C; (16)Enthalpy of Vaporization: 35.8 kJ/mol; (17)Boiling Point: 136 °C at 760 mmHg; (18)Vapour Pressure: 9.29 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cncc(Cl)c1F
(2)InChI: InChI=1/C5H2ClF2N/c6-3-1-9-2-4(7)5(3)8/h1-2H
(3)InChIKey: IWCQYKMRVIEPBM-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C5H2ClF2N/c6-3-1-9-2-4(7)5(3)8/h1-2H
(5)Std. InChIKey: IWCQYKMRVIEPBM-UHFFFAOYSA-N