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CAS No.: | 375368-83-5 |
---|---|
Name: | 5-BROMO-2-FLUORO-6-PICOLINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H5BrFN |
Molecular Weight: | 190.015 |
Synonyms: | 3-Bromo-6-fluoro-2-methylpyridine;5-Bromo-2-fluoro-6-methylpyridine; |
Density: | 1.592 g/cm3 |
Boiling Point: | 189.536 °C at 760 mmHg |
Flash Point: | 68.43 °C |
Appearance: | Light yellow powder |
Hazard Symbols: | Xi |
Risk Codes: | 22-37/38-41 |
Safety: | 26-39 |
PSA: | 12.89000 |
LogP: | 2.29160 |
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The IUPAC name of 3-Bromo-6-fluoro-2-methylpyridine is 3-bromo-6-fluoro-2-methylpyridine. With the CAS registry number 375368-83-5, it is also named as Pyridine,3-bromo-6-fluoro-2-methyl-. The product's categories are Heterocycles; Organohalides; Pyridine; Variety of Halogenated Heterocyclic Series. Besides, it is light yellow powder. In addition, its molecular formula is C6H5BrFN and molecular weight is 190.01.
The other characteristics of 3-Bromo-6-fluoro-2-methylpyridine can be summarized as: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.287; (4)ACD/LogD (pH 7.4): 2.287; (5)ACD/BCF (pH 5.5): 32.219; (6)ACD/BCF (pH 7.4): 32.219; (7)ACD/KOC (pH 5.5): 417.952; (8)ACD/KOC (pH 7.4): 417.952; (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: 1.53; (14)Molar Refractivity: 36.853 cm3; (15)Molar Volume: 119.327 cm3; (16)Polarizability: 14.61×10-24cm3; (17)Surface Tension: 38.216 dyne/cm; (18)Density: 1.592 g/cm3; (19)Flash Point: 68.43 °C; (20)Enthalpy of Vaporization: 40.831 kJ/mol; (21)Boiling Point: 189.536 °C at 760 mmHg; (22)Vapour Pressure: 0.784 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Cc1c(ccc(n1)F)Br
(2)InChI: InChI=1/C6H5BrFN/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3
(3)InChIKey: GUYGQQWIKZLHTP-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C6H5BrFN/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3
(5)Std. InChIKey: GUYGQQWIKZLHTP-UHFFFAOYSA-N