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CAS No.: | 883107-69-5 |
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Name: | 3-Chloro-4-fluoropyridine |
Molecular Structure: | |
Formula: | C5H3ClFN |
Molecular Weight: | 131.54 |
Synonyms: | Pyridine,3-chloro-4-fluoro;3-chloranyl-4-fluoranyl-pyridine; |
Density: | 1.331 g/cm3 |
Boiling Point: | 151.14 °C at 760 mmHg |
Flash Point: | 45.208 °C |
Hazard Symbols: | Xi |
PSA: | 12.89000 |
LogP: | 1.87410 |
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The IUPAC name of 3-Chloro-4-fluoropyridine is 3-chloro-4-fluoropyridine. With the CAS registry number 883107-69-5, it is also named as Pyridine,3-chloro-4-fluoro-. The product categories are Pyridine series; Pyridine; Pyridines. In addition, its molecular formula is C5H3ClFN and molecular weight is 131.5354232.
The other characteristics of 3-Chloro-4-fluoropyridine can be summarized as: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.983; (4)ACD/LogD (pH 7.4): 1.983; (5)ACD/BCF (pH 5.5): 18.939; (6)ACD/BCF (pH 7.4): 18.943; (7)ACD/KOC (pH 5.5): 285.712; (8)ACD/KOC (pH 7.4): 285.772; (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: 1.503; (14)Molar Refractivity: 29.233 cm3; (15)Molar Volume: 98.818 cm3; (16)Polarizability: 11.589×10-24cm3; (17)Surface Tension: 37.427 dyne/cm; (18)Density: 1.331 g/cm3; (19)Flash Point: 45.208 °C; (20)Enthalpy of Vaporization: 37.201 kJ/mol; (21)Boiling Point: 151.14 °C at 760 mmHg; (22)Vapour Pressure: 4.742 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: c1cncc(c1F)Cl
(2)InChI: InChI=1/C5H3ClFN/c6-4-3-8-2-1-5(4)7/h1-3H
(3)InChIKey: UKQHXVNMBBOXMF-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C5H3ClFN/c6-4-3-8-2-1-5(4)7/h1-3H
(5)Std. InChIKey: UKQHXVNMBBOXMF-UHFFFAOYSA-N