CAS No.5093-70-9,4-Bromo-2,6-dimethylpyridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5093-70-9
Name:	4-Bromo-2,6-dimethylpyridine
Article Data:	10

Formula:	C₇H₈BrN
Molecular Weight:	186.051
Synonyms:	2,6-Lutidine,4-bromo- (6CI,7CI,8CI);4-Bromo-2,6-lutidine;
Density:	1.416 g/cm³
Melting Point:	28-32°C
Boiling Point:	207.3 °C at 760 mmHg
Flash Point:	79.2 °C
Hazard Symbols:	Xn
Risk Codes:	22-41-37/38
Safety:	26-39-24/25
PSA:	12.89000
LogP:	2.46090

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Specification

The IUPAC name of this chemical is 4-bromo-2,6-dimethylpyridine. With the CAS registry number 5093-70-9, it is also named as pyridine, 4-bromo-2,6-dimethyl-. The product's categories are pharmacetical; heterocyclic compounds; building blocks; pyridine. This chemical must be sealed in the container and avoided direct sunshine.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.32; (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): 19; (6)ACD/BCF (pH 7.4): 34; (7)ACD/KOC (pH 5.5): 242; (8)ACD/KOC (pH 7.4): 431; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.547; (13)Molar Refractivity: 41.684 cm³; (14)Molar Volume: 131.392 cm³; (15)Polarizability: 16.525×10^-24cm³; (16)Surface Tension: 38.46 dyne/cm; (17)Enthalpy of Vaporization: 42.543 kJ/mol; (18)Vapour Pressure: 0.327 mmHg at 25°C; (19)Exact Mass: 184.984012; (20)MonoIsotopic Mass: 184.984012; (21)Topological Polar Surface Area: 12.9; (22)Heavy Atom Count: 9; (23)Complexity: 84.9.

People can use the following data to convert to the molecule structure.
1. SMILES:Cc1cc(cc(n1)C)Br
2. InChI:InChI=1/C7H8BrN/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3
3. InChIKey:VTRFAYHJKSKHGY-UHFFFAOYAS