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3-Bromo-2-fluoro-5-methylpyridine

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Name

3-Bromo-2-fluoro-5-methylpyridine

EINECS 807-945-5
CAS No. 17282-01-8 Density 1.592 g/cm3
PSA 12.89000 LogP 2.29160
Solubility N/A Melting Point 57.0 to 61.0 °C
Formula C6H5BrFN Boiling Point 207.797 °C at 760 mmHg
Molecular Weight 190.015 Flash Point 79.473 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 17282-01-8 (3-Bromo-2-fluoro-5-methylpyridine) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

3-Picoline,5-bromo-6-fluoro- (8CI);2-Fluoro-3-bromo-5-methylpyridine;3-Bromo-2-fluoro-5-picoline;

Article Data 2

3-Bromo-2-fluoro-5-methylpyridine Specification

The IUPAC name of 3-Bromo-2-fluoro-5-methylpyridine is 3-bromo-2-fluoro-5-methylpyridine. With the CAS registry number 17282-01-8, it is also named as 2-Fluoro-3-bromo-5-picoline. The product's categories are Pyridine; Pyridines; Boronic Acid; Variety of Halogenated Heterocyclic Series. In addition, its molecular formula is C6H5BrFN and molecular weight is 190.01.

The other characteristics of 3-Bromo-2-fluoro-5-methylpyridine can be summarized as: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 29; (6)ACD/BCF (pH 7.4): 29; (7)ACD/KOC (pH 5.5): 392; (8)ACD/KOC (pH 7.4): 392; (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: 79.473 °C; (20)Enthalpy of Vaporization: 42.593 kJ/mol; (21)Boiling Point: 207.797 °C at 760 mmHg; (22)Vapour Pressure: 0.318 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. It is also harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
(1)SMILES: Cc1cnc(F)c(Br)c1
(2)InChI: InChI=1/C6H5BrFN/c1-4-2-5(7)6(8)9-3-4/h2-3H,1H3
(3)InChIKey: FWKQBHMQYXTOTD-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C6H5BrFN/c1-4-2-5(7)6(8)9-3-4/h2-3H,1H3
(5)Std. InChIKey: FWKQBHMQYXTOTD-UHFFFAOYSA-N

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