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CAS No.: | 1480-64-4 |
---|---|
Name: | 3-Chloro-2-fluoro-pyridine |
Molecular Structure: | |
Formula: | C5H3ClFN |
Molecular Weight: | 131.537 |
Synonyms: | 3-Chloro-2-fluoropyridine;2-Fluoro-3-chloro pyridine; |
Density: | 1.331 g/cm3 |
Melting Point: | 274 °C |
Boiling Point: | 162.2 °C at 760 mmHg |
Flash Point: | 51.9 °C |
Appearance: | colorless liquid |
Hazard Symbols: | T |
Risk Codes: | T:; "> T:; |
Safety: | 26-39-45-36/37/39 |
PSA: | 12.89000 |
LogP: | 1.87410 |
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The IUPAC name of 3-Chloro-2-fluoro-pyridine is 3-chloro-2-fluoropyridine. With the CAS registry number 1480-64-4, it is also named as 2-Fluoro-3-chloro pyridine. The product's categories are Pyridine; Pyridines. Besides, it is colorless liquid. In addition, its molecular formula is C5H3ClFN and molecular weight is 131.53.
The other characteristics of 3-Chloro-2-fluoro-pyridine can be summarized as: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 1.79; (5)ACD/BCF (pH 5.5): 13.51; (6)ACD/BCF (pH 7.4): 13.51; (7)ACD/KOC (pH 5.5): 224.4; (8)ACD/KOC (pH 7.4): 224.4; (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: 29.23 cm3; (15)Molar Volume: 98.8 cm3; (16)Polarizability: 11.58×10-24cm3; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 1.331 g/cm3; (19)Flash Point: 51.9 °C; (20)Enthalpy of Vaporization: 38.24 kJ/mol; (21)Boiling Point: 162.2 °C at 760 mmHg; (22)Vapour Pressure: 2.86 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1cccnc1F
(2)InChI: InChI=1/C5H3ClFN/c6-4-2-1-3-8-5(4)7/h1-3H
(3)InChIKey: IHGMHTQDGNVKTA-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C5H3ClFN/c6-4-2-1-3-8-5(4)7/h1-3H
(5)Std. InChIKey: IHGMHTQDGNVKTA-UHFFFAOYSA-N