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Name |
3-Bromo-4-ethylpyridine |
EINECS | N/A |
CAS No. | 38749-76-7 | Density | 1.413 g/cm3 |
PSA | 12.89000 | LogP | 2.40650 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H8BrN | Boiling Point | 216.7 °C at 760 mmHg |
Molecular Weight | 186.051 | Flash Point | 84.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Bromo-4-ethylpyridine;4-Ethyl-3-bromopyridine; |
Article Data | 4 |
The Pyridine,3-bromo-4-ethyl-, with the CAS registry number 38749-76-7, is also known as 4-Ethyl-3-bromopyridine. It belongs to the product category of Pyridine. This chemical's molecular formula is C7H8BrN and molecular weight is 186.05. What's more, its systematic name is 3-bromo-4-ethylpyridine.
Physical properties of Pyridine,3-bromo-4-ethyl- are: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 2.74; (5)ACD/BCF (pH 5.5): 70.44; (6)ACD/BCF (pH 7.4): 71.49; (7)ACD/KOC (pH 5.5): 728.52; (8)ACD/KOC (pH 7.4): 739.33; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 41.58 cm3; (15)Molar Volume: 131.6 cm3; (16)Polarizability: 16.48×10-24 cm3; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 1.413 g/cm3; (19)Flash Point: 84.8 °C; (20)Enthalpy of Vaporization: 43.46 kJ/mol; (21)Boiling Point: 216.7 °C at 760 mmHg; (22)Vapour Pressure: 0.203 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-ethyl-pyridine at the temperature of 70-80 °C. This reaction will need reagents 65 percent oleum, Br2. The yield is about 81%.
Uses of Pyridine,3-bromo-4-ethyl-: it can be used to produce 4-ethyl-[3,4']bipyridinyl by heating. It will need reagents potassium hydroxide, tetrabutylammonium bromide and solvent tetrahydrofuran with the reaction time of 8 hours. This reaction will also need catalyst tetrakis(triphenylphosphine)palladium. The yield is about 40%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCc1ccncc1Br
(2)InChI: InChI=1/C7H8BrN/c1-2-6-3-4-9-5-7(6)8/h3-5H,2H2,1H3
(3)InChIKey: BJZMHNBXROHGCM-UHFFFAOYAK