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26218-75-7

Basic Information
CAS No.: 26218-75-7
Name: 2-Pyridinecarboxylicacid, 6-bromo-, methyl ester
Article Data: 26
Cas Database
Molecular Structure:
Molecular Structure of 26218-75-7 (2-Pyridinecarboxylicacid, 6-bromo-, methyl ester)
Formula: C7H6BrNO2
Molecular Weight: 216.034
Synonyms: Picolinicacid, 6-bromo-, methyl ester (8CI);6-Bromopyridine-2-carboxylic acid methylester;Methyl 2-bromopyridine-6-carboxylate;Methyl 6-bromopicolinate;
EINECS: 627-687-5
Density: 1.58 g/cm3
Melting Point: 92-96°C(lit.)
Boiling Point: 289.739 °C at 760 mmHg
Flash Point: 129.03 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: IrritantXi
Risk Codes: 37/38-41
Safety: 26-39
Transport Information: N/A
PSA: 39.19000
LogP: 1.63070
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Specification

The Methyl 6-bromopyridine-2-carboxylate, with its CAS registry number 26218-75-7, has the chemical formula of C7H6Br NO2. And its product categories are including blocks; Carboxes; Pyridines; Pyridine; Pyridine Series; Boronic Acid. When store it, it should be kept sealed in the dry and cool place.

The characteristics of Methyl 6-bromopyridine-2-carboxylate are as follows: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 39.19; (7)Index of Refraction: 1.554; (8)Molar Refractivity: 43.807 cm3; (9)Molar Volume: 136.735 cm3; (10)Polarizability: 17.367×10-24 cm3; (11)Surface Tension: 46.347 dyne/cm; (12)Density: 1.58 g/cm3; (13)Flash Point: 129.03 °C; (14)Enthalpy of Vaporization: 52.906 kJ/mol; (15)Boiling Point: 289.739 °C at 760 mmHg; (16)Vapour Pressure: 0.002 mmHg at 25°C; (17)Exact Mass: 214.958191; (18)MonoIsotopic Mass: 214.958191; (19)Topological Polar Surface Area: 39.2; (20)Heavy Atom Count: 11; (21)Complexity: 151.

When you are dealing with this chemical, you should be cautious. This is irritating to eyes and respiratory system and may cause inflammation to the skin or other mucous membranes, and could even have risk of serious damage to eyes. Therefore, you should wear eye/face protection. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

What's more, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: COC(=O)C1=NC(=CC=C1)Br
(2)InChI: InChI=1S/C7H6BrNO2/c1-11-7(10)5-3-2-4-6(8)9-5/h2-4H,1H3
(3)InChIKey: SGNCOKUHMXLGAH-UHFFFAOYSA-N