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Pyridine,3-bromo-6-chloro-2-methyl- (132606-40-7)

Identification
Name:Pyridine,3-bromo-6-chloro-2-methyl-
Synonyms:2-Chloro-6-methyl-5-bromopyridine;5-Bromo-2-chloro-6-methylpyridine;
CAS:132606-40-7
Molecular Formula: C6H5BrClN
Molecular Weight: 206.47
InChI: InChI=1/C6H5BrClN/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3
Molecular Structure: (C6H5BrClN) 2-Chloro-6-methyl-5-bromopyridine;5-Bromo-2-chloro-6-methylpyridine;
Properties
Flash Point: 87.2°C
Boiling Point: 220.6°Cat760mmHg
Density:1.624g/cm3
Refractive index:1.571
Specification:

This product is organic compound with the formula C6H5BrClN. The systematic name of this chemical is 3-bromo-6-chloro-2-methylpyridine. With the CAS registry number 132606-40-7, it is also named as Pyridine, 3-bromo-6-chloro-2-methyl-. The product's categories are Blocks; Bromides; Pyridine; Halides; Pyridine Series; Variety of halogenated heterocyclic series. It is irritant.

The other characteristics of 3-Bromo-6-chloro-2-methylpyridine can be summarized as: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 82; (6)ACD/BCF (pH 7.4): 82; (7)ACD/KOC (pH 5.5): 816; (8)ACD/KOC (pH 7.4): 816; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 ?2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 41.754 cm3; (15)Molar Volume: 127.068 cm3; (16)Polarizability: 16.553×10-24 cm3; (17)Surface Tension: 43.022 dyne/cm; (18)Density: 1.625 g/cm3; (19)Flash Point: 87.224 °C; (20)Enthalpy of Vaporization: 43.844 kJ/mol; (21)Boiling Point: 220.613 °C at 760 mmHg; (22)Vapour Pressure: 0.166 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:Cc1nc(Cl)ccc1Br
2. InChI:InChI=1/C6H5BrClN/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3 
3. InChIKey:DTFBHJWQTDQBEM-UHFFFAOYAM
4. Std. InChI:InChI=1S/C6H5BrClN/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3
5. Std. InChIKey:DTFBHJWQTDQBEM-UHFFFAOYSA-N

Flash Point: 87.2°C
Safety Data
Hazard Symbols Xi:Irritant