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| CAS No.: | 53636-56-9 |
|---|---|
| Name: | methyl 3-bromopicolinate |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C7H6BrNO2 |
| Molecular Weight: | 216.034 |
| Synonyms: | 3-Bromopyridine-2-carboxylicacid methyl ester;Methyl 3-bromopicolinate;Methyl3-bromopyridine-2-carboxylate; |
| EINECS: | -0 |
| Density: | 1.58 g/cm3 |
| Boiling Point: | 267.423 °C at 760 mmHg |
| Flash Point: | 115.533 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 41 |
| Safety: | 26-39 |
| PSA: | 39.19000 |
| LogP: | 1.63070 |
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Specification
The 2-Pyridinecarboxylicacid, 3-bromo-, methyl ester, with the CAS registry number 53636-56-9, is also known as Methyl 3-Bromopicolinate. This chemical's molecular formula is C7H6BrNO2 and molecular weight is 214.96. Its systematic name is called methyl 3-bromopyridine-2-carboxylate.
Physical properties of 2-Pyridinecarboxylicacid, 3-bromo-, methyl ester: (1)ACD/LogP: 1.25; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 4; (5)ACD/BCF (pH 7.4): 4; (6)ACD/KOC (pH 5.5): 95; (7)ACD/KOC (pH 7.4): 95; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.554; (11)Molar Refractivity: 43.807 cm3; (12)Molar Volume: 136.735 cm3; (13)Surface Tension: 46.347 dyne/cm; (14)Density: 1.58 g/cm3; (15)Flash Point: 115.533 °C; (16)Enthalpy of Vaporization: 50.545 kJ/mol; (17)Boiling Point: 267.423 °C at 760 mmHg; (18)Vapour Pressure: 0.008 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cccnc1C(=O)OC
(2)InChI: InChI=1/C7H6BrNO2/c1-11-7(10)6-5(8)3-2-4-9-6/h2-4H,1H3
(3)InChIKey: GSTYLUGZSCVBTJ-UHFFFAOYAE