Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Bromo-2,6-dimethylpyridine |
EINECS | N/A |
CAS No. | 5093-70-9 | Density | 1.416 g/cm3 |
PSA | 12.89000 | LogP | 2.46090 |
Solubility | N/A | Melting Point |
28-32°C |
Formula | C7H8BrN | Boiling Point | 207.3 °C at 760 mmHg |
Molecular Weight | 186.051 | Flash Point | 79.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-39-24/25 | Risk Codes | 22-41-37/38 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
2,6-Lutidine,4-bromo- (6CI,7CI,8CI);4-Bromo-2,6-lutidine; |
Article Data | 10 |
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: 16.525×10-24 cm3; (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