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CAS No.: | 68470-59-7 |
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Name: | 2-(Bromomethyl)-6-methylpyridine |
Molecular Structure: | |
Formula: | C7H8BrN |
Molecular Weight: | 186.051 |
Synonyms: | 2-Bromomethyl-6-methylpyridine;6-Methyl-2-(bromomethyl)pyridine; |
Density: | 1.449 g/cm3 |
Melting Point: | 38-42 °C |
Boiling Point: | 209.865 °C at 760 mmHg |
Flash Point: | 80.724 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-37/38-41 |
Safety: | 26-36/37/39 |
PSA: | 12.89000 |
LogP: | 2.28490 |
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The systematic name of 2-(Bromomethyl)-6-methylpyridine is 2-(bromomethyl)-6-methylpyridine. With the CAS registry number 68470-59-7, it is also named as 6-Methyl-2-(bromomethyl)pyridine. The product's categories are Halometyl; Pyridine Series. In addition, its molecular formula is C7H8BrN and molecular weight is 186.05.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.86; (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): 15; (6)ACD/BCF (pH 7.4): 16; (7)ACD/KOC (pH 5.5): 242; (8)ACD/KOC (pH 7.4): 253; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.565; (13)Molar Refractivity: 41.817 cm3; (14)Molar Volume: 128.425 cm3; (15)Surface Tension: 42.559 dyne/cm; (16)Density: 1.449 g/cm3; (17)Flash Point: 80.724 °C; (18)Melting Point: 38-42 °C; (19)Enthalpy of Vaporization: 42.794 kJ/mol; (20)Boiling Point: 209.865 °C at 760 mmHg; (21)Vapour Pressure: 0.287 mmHg at 25 °C.
Preparation of 2-(Bromomethyl)-6-methylpyridine: this chemical can be prepared by (6-Methyl-pyridin-2-yl)-methanol.
This reaction needs 40percent H2SO4 and 60percent HBr by heating for 12 hours. The yield is 82.5 %.
Uses of 2-(Bromomethyl)-6-methylpyridine: it can react with 1,3-Diamino-propan-2-ol to get 1,3-Bis-[bis-(6-methyl-pyridin-2-ylmethyl)-amino]-propan-2-ol.
This reaction needs NaOH and H2O by heating. The yield is 90.3 %.
When you are using this chemical, please be cautious about it as the following: it is irritating to respiratory system and skin. It is also harmful if swallowed and risk of serious damage to the eyes. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
(1)SMILES: Cc1cccc(CBr)n1
(2)InChI: InChI=1/C7H8BrN/c1-6-3-2-4-7(5-8)9-6/h2-4H,5H2,1H3
(3)InChIKey: WJFDCFHWFHCLIW-UHFFFAOYAZ