CAS No.120276-47-3,Pyridine, 3-(bromomethyl)-5-methyl- (9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	120276-47-3
Name:	Pyridine, 3-(bromomethyl)-5-methyl- (9CI)
Article Data:	7

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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Specification

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 %.

Pyridine, 3-(bromomethyl)-5-methyl- can react with 3-Oxo-2, 3-dihydro-indazole-1-carboxylic acid ethyl ester to get 2-(5-Methyl-pyridin-3-ylmethyl)-3-oxo-2,3-dihydro-indazole-1-carboxylic acid ethyl ester.

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