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| CAS No.: | 374633-38-2 |
|---|---|
| Name: | 2-Bromo-5-fluoro-6-methylpyridine |
| Molecular Structure: | |
|
|
|
| Formula: | C6H5BrFN |
| Molecular Weight: | 190.015 |
| Synonyms: | 6-Bromo-3-fluoro-2-methylpyridine; |
| EINECS: | 675-596-4 |
| Density: | 1.592 g/cm3 |
| Melting Point: | 63-65 °C |
| Boiling Point: | 183.364 °C at 760 mmHg |
| Flash Point: | 64.696 °C |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 26-36/37/39-36 |
| PSA: | 12.89000 |
| LogP: | 2.29160 |
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Specification
The 2-Bromo-5-fluoro-6-methylpyridine, with the CAS registry number 374633-38-2, is also known as 2-Bromo-5-fluoro-6-picoline. It belongs to the product categories of Pyridine; Pyridines, Pyrimidines, Purines and Pteredines; Pyridines; Boronic Acid; Variety of Halogenated Heterocyclic Series; Pyridine Series. This chemical's molecular formula is C6H5BrFN and molecular weight is 190.01. What's more, both its IUPAC name and systematic name are the same which is called 6-Bromo-3-fluoro-2-methylpyridine.
Physical properties about 2-Bromo-5-fluoro-6-methylpyridine are: (1)ACD/LogP: 1.967; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.42; (6)ACD/BCF (pH 7.4): 18.42; (7)ACD/KOC (pH 5.5): 280.09; (8)ACD/KOC (pH 7.4): 280.09; (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: 14.61×10-24 cm3; (17)Surface Tension: 38.22 dyne/cm; (18)Density: 1.592 g/cm3; (19)Flash Point: 64.696 °C; (20)Enthalpy of Vaporization: 40.241 kJ/mol; (21)Boiling Point: 183.364 °C at 760 mmHg; (22)Vapour Pressure: 1.056 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system. It may cause damage to health by inhalation, in contacting with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(nc(Br)cc1)C
(2) InChI: InChI=1S/C6H5BrFN/c1-4-5(8)2-3-6(7)9-4/h2-3H,1H3
(3) InChIKey: BFQONZCQHGIKIY-UHFFFAOYSA-N