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117846-58-9

Basic Information
CAS No.: 117846-58-9
Name: 3,5-Dimethyl-2,6-dibromopyridine
Article Data: 7
Molecular Structure:
Molecular Structure of 117846-58-9 (3,5-Dimethyl-2,6-dibromopyridine)
Formula: C7H7Br2N
Molecular Weight: 264.947
Synonyms: 2,6-Dibromo-3,5-Dimethylpyridine;3,5-Dimethyl-2,6-dibromopyridine;
Density: 1.795 g/cm3
Melting Point: 107-108 °C
Boiling Point: 303.1 °C at 760 mmHg
Flash Point: 137.1 °C
PSA: 12.89000
LogP: 3.22340
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Specification

The Pyridine, 2,6-dibromo-3,5-dimethyl-, with the CAS registry number 117846-58-9, is also known as 3,5-Dimethyl-2,6-dibromopyridine. This chemical's molecular formula is C7H7Br2N and molecular weight is 264.95. What's more, its systematic name is 2,6-dibromo-3,5-dimethylpyridine.

Physical properties of Pyridine, 2,6-dibromo-3,5-dimethyl- are: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 12.89 Å2; (7)Index of Refraction: 1.583; (8)Molar Refractivity: 49.37 cm3; (9)Molar Volume: 147.5 cm3; (10)Polarizability: 19.57×10-24cm3; (11)Surface Tension: 42.9 dyne/cm; (12)Density: 1.795 g/cm3; (13)Flash Point: 137.1 °C; (14)Enthalpy of Vaporization: 52.16 kJ/mol; (15)Boiling Point: 303.1 °C at 760 mmHg; (16)Vapour Pressure: 0.00171 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=C(N=C1Br)Br)C
(2)InChI: InChI=1S/C7H7Br2N/c1-4-3-5(2)7(9)10-6(4)8/h3H,1-2H3
(3)InChIKey: ILHNZRHAVNCIFX-UHFFFAOYSA-N