2,6-Pyridinedicarboxylicacid, 4-bromo-, 2,6-dimethyl ester supplier

Name
Dimethyl 2-bromo-2,6-pyridinedicarboxylate
EINECS
CAS No. 162102-79-6
Article Data42
CAS DataBase
Density 1.569g/cm³
Solubility
Melting Point 176 °C
Formula C₉H₈BrNO₄
Boiling Point 369.566 °C at 760 mmHg
Molecular Weight 274.071
Flash Point 177.308 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,6-Pyridinedicarboxylicacid, 4-bromo-, dimethyl ester (9CI);4-Bromo-2,6-pyridinedicarboxylic aciddimethyl ester;Dimethyl 4-bromo-2,6-pyridinedicarboxylate;
PSA 65.49000
LogP 1.41730

2,6-Pyridinedicarboxylicacid, 4-bromo-, 2,6-dimethyl ester Specification

The 2,6-Pyridinedicarboxylicacid, 4-bromo-, 2,6-dimethyl ester, with CAS registry number 162102-79-6, belongs to the following product category: Pharmacetical. It has the systematic name of dimethyl 4-bromopyridine-2,6-dicarboxylate. Besides this, it is also called Dimethyl 2-bromo-2,6-pyridinedicarboxylate. And the chemical formula of this chemical is C₉H₈BrNO₄.

Physical properties of 2,6-Pyridinedicarboxylicacid, 4-bromo-, 2,6-dimethyl ester: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 65.49 Å²; (7)Index of Refraction: 1.549; (8)Molar Refractivity: 55.581 cm³; (9)Molar Volume: 174.627 cm³; (10)Polarizability: 22.034×10^-24cm³; (11)Surface Tension: 48.828 dyne/cm; (12)Density: 1.569 g/cm³; (13)Flash Point: 177.308 °C; (14)Enthalpy of Vaporization: 61.636 kJ/mol; (15)Boiling Point: 369.566 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(nc(C(=O)OC)c1)C(=O)OC
(2)InChI: InChI=1/C9H8BrNO4/c1-14-8(12)6-3-5(10)4-7(11-6)9(13)15-2/h3-4H,1-2H3
(3)InChIKey: WYROXHCDUWIUMW-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C9H8BrNO4/c1-14-8(12)6-3-5(10)4-7(11-6)9(13)15-2/h3-4H,1-2H3
(5)Std. InChIKey: WYROXHCDUWIUMW-UHFFFAOYSA-N

Product Name

Dimethyl 2-bromo-2,6-pyridinedicarboxylate

2,6-Pyridinedicarboxylicacid, 4-bromo-, 2,6-dimethyl ester Specification

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