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CAS No.: | 120276-47-3 |
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Name: | Pyridine, 3-(bromomethyl)-5-methyl- (9CI) |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C7H8BrN |
Molecular Weight: | 186.051 |
Synonyms: | 3-Bromomethyl-5-methylpyridine;5-Methyl-3-pyridylmethyl bromide; |
EINECS: | 1.449 g/cm3 |
Density: | 1.448 |
Melting Point: | 245.332 °C at 760 mmHg |
Boiling Point: | 102.173 °C |
Flash Point: | 102℃ |
Appearance: | Colorless liquid |
Hazard Symbols: | C,Xi,F |
Risk Codes: | C,Xi,F |
PSA: | 12.89000 |
LogP: | 2.28490 |
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The Pyridine, 3-(bromomethyl)-5-methyl-, with the CAS registry number 120276-47-3, is also known as 5-Methyl-3-pyridylmethyl bromide. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C7H8BrN and molecular weight is 186.05. What's more, its systematic name is 3-(Bromomethyl)-5-methylpyridine.
Physical properties about Pyridine, 3-(bromomethyl)-5-methyl- are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 12.89 Å2; (7)Index of Refraction: 1.565; (8)Molar Refractivity: 41.817 cm3; (9)Molar Volume: 128.425 cm3; (10)Polarizability: 16.578×10-24 cm3; (11)Surface Tension: 42.559 dyne/cm; (12)Density: 1.449 g/cm3; (13)Flash Point: 102.173 °C; (14)Enthalpy of Vaporization: 46.288 kJ/mol; (15)Boiling Point: 245.332 °C at 760 mmHg; (16)Vapour Pressure: 0.045 mmHg at 25 °C.
Uses of Pyridine, 3-(bromomethyl)-5-methyl-: it is used to produce other chemicals. For example, it is used to produce 2-(5-Methyl-pyridin-3-ylmethyl)-3-oxo-2, 3-dihydro-indazole-1-carboxylic acid ethyl ester by heating. The reaction needs reagent Et3N and solvent CHCl3. The reaction time is 1 hour. The yield is about 20 %.
You can still convert the following datas into molecular structure:
(1) SMILES: BrCc1cc(cnc1)C
(2) InChI: InChI=1/C7H8BrN/c1-6-2-7(3-8)5-9-4-6/h2,4-5H,3H2,1H3
(3) InChIKey: CZALOULBSKSWNH-UHFFFAOYAL