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| CAS No.: | 851178-99-9 |
|---|---|
| Name: | 4-Chloro-2,3-difluoropyridine |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C5H2ClF2N |
| Molecular Weight: | 149.525886 |
| Synonyms: | 4-Chloro-2,3-difluoropyridine;2,3-Difluoro-4-chloro-pyridine; |
| EINECS: | 200-158-5 |
| Density: | 1.451 g/cm3 |
| Melting Point: | -25--23℃ |
| Boiling Point: | 149.964 °C at 760 mmHg |
| Flash Point: | 44.497 °C |
| PSA: | 12.89000 |
| LogP: | 2.01320 |
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- Total:27 Page 1 of 1 1
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Specification
The IUPAC name of Pyridine,4-chloro-2,3-difluoro- is 4-chloro-2,3-difluoropyridine. With the CAS registry number 851178-99-9, it is also named as 2,3-Difluoro-4-chloro-pyridine. The product's category is API Intermediates. In addition, its molecular formula is C5H2ClF2N and its molecular weight is 149.525886.
The other characteristics of Pyridine,4-chloro-2,3-difluoro- can be summarized as: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 74; (8)ACD/KOC (pH 7.4): 74; (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: 29.227 cm3; (15)Molar Volume: 103.027 cm3; (16)Polarizability: 11.586×10-24cm3; (17)Surface Tension: 35.532 dyne/cm; (18)Density: 1.451 g/cm3; (19)Flash Point: 44.497 °C; (20)Enthalpy of Vaporization: 37.092 kJ/mol; (21)Boiling Point: 149.964 °C at 760 mmHg; (22)Vapour Pressure: 5.001 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1ccnc(F)c1F
(2)InChI: InChI=1/C5H2ClF2N/c6-3-1-2-9-5(8)4(3)7/h1-2H
(3)InChIKey: RFFJEZRNZLNVBG-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C5H2ClF2N/c6-3-1-2-9-5(8)4(3)7/h1-2H
(5)Std. InChIKey: RFFJEZRNZLNVBG-UHFFFAOYSA-N