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CAS No.: | 1000340-01-1 |
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Name: | 3,5-Dibromo-2-fluoro-4-methylpyridine |
Molecular Structure: | |
Formula: | C6H4Br2FN |
Molecular Weight: | 268.9091 |
Synonyms: | 3,5-dibromo-2-fluoro-4-methyl-pyridine;3,5-Dibromo-2-fluoro-4-picoline;Pyridine, 3,5-dibromo-2-fluoro-4-methyl-; |
Density: | 1.984 g/cm3 |
Boiling Point: | 248.465 °C at 760 mmHg |
Flash Point: | 104.068 °C |
Hazard Symbols: | T |
PSA: | 12.89000 |
LogP: | 3.05410 |
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The 3,5-Dibromo-2-fluoro-4-methylpyridine, with the CAS registry number 1000340-01-1, is also called 3,5-Dibromo-2-fluoro-4-picoline. It is a kind of organics, and the should be stored in the dry and cool environment. And the molecular formula of the chemical is C6H4Br2FN.
The characteristics of 3,5-Dibromo-2-fluoro-4-methylpyridine are as followings: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 2.65; (5)ACD/BCF (pH 5.5): 60.792; (6)ACD/BCF (pH 7.4): 60.792; (7)ACD/KOC (pH 5.5): 658.403; (8)ACD/KOC (pH 7.4): 658.403; (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: 1.571; (14)Molar Refractivity: 44.543 cm3; (15)Molar Volume: 135.512 cm3; (16)Polarizability: 17.658×10-24cm3; (17)Surface Tension: 43.085 dyne/cm; (18)Density: 1.984 g/cm3; (19)Flash Point: 104.068 °C; (20)Enthalpy of Vaporization: 46.601 kJ/mol; (21)Boiling Point: 248.465 °C at 760 mmHg; (22)Vapour Pressure: 0.038 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1c(cnc(c1Br)F)Br
(2)InChI: InChI=1/C6H4Br2FN/c1-3-4(7)2-10-6(9)5(3)8/h2H,1H3
(3)InChIKey: LAOILGACTMFPSZ-UHFFFAOYAN