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CAS No.: | 851179-00-5 |
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Name: | 3-chloro-2,5-difluoropyridine |
Molecular Structure: | |
Formula: | C5H2ClF2N |
Molecular Weight: | 149.527 |
Synonyms: | pyridine, 3-chloro-2,5-difluoro-; |
Density: | 1.451 g/cm3 |
Melting Point: | 10-12℃ |
Boiling Point: | 143.3 °C at 760 mmHg |
Flash Point: | 40.5 °C |
PSA: | 12.89000 |
LogP: | 2.01320 |
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The 3-Chloro-2,5-difluoropyridine, with the CAS registry number 851179-00-5, is also called pyridine, 3-chloro-2,5-difluoro-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C5H2ClF2N.
The characteristics of 3-Chloro-2,5-difluoropyridine are as followings: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 7.56; (6)ACD/BCF (pH 7.4): 7.56; (7)ACD/KOC (pH 5.5): 148.09; (8)ACD/KOC (pH 7.4): 148.09; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 29.22 cm3; (15)Molar Volume: 103 cm3; (16)Polarizability: 11.58×10-24cm3; (17)Surface Tension: 35.5 dyne/cm; (18)Density: 1.451 g/cm3; (19)Flash Point: 40.5 °C; (20)Enthalpy of Vaporization: 36.47 kJ/mol; (21)Boiling Point: 143.3 °C at 760 mmHg; (22)Vapour Pressure: 6.75 mmHg at 25°C.
Preparation of 3-Chloro-2,5-difluoropyridine: This chemical can be prepared by (5-chloro-3,6-difluoro-pyridin-2-yl)-hydrazine. The reaction will need reagent aq. CuSO4. The reaction time is 2 hours with heating, and the yield is about 67%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cnc(F)c(Cl)c1
(2)InChI: InChI=1/C5H2ClF2N/c6-4-1-3(7)2-9-5(4)8/h1-2H
(3)InChIKey: ATKDHGGWYZLPPJ-UHFFFAOYAV