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| CAS No.: | 845306-08-3 |
|---|---|
| Name: | TERT-BUTYL 5-BROMOPYRIDINE-2-CARBOXYLATE 98 |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C10H12BrNO2 |
| Molecular Weight: | 258.115 |
| Synonyms: | 5-Bromopyridine-2-carboxylicacid tert-butyl ester;tert-Butyl 5-bromopyridine-2-carboxylate; |
| Density: | 1.385 g/cm3 |
| Melting Point: | 92-94 °C |
| Boiling Point: | 317.6 °C at 760 mmHg |
| Flash Point: | 145.9 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 39.19000 |
| LogP: | 2.79940 |
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- Total:31 Page 1 of 1 1
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Specification
The 2-Pyridinecarboxylicacid, 5-bromo-, 1,1-dimethylethyl ester, with the CAS registry number 845306-08-3, is also known as 5-Bromopyridine-2-carboxylicacid tert-butyl ester. It belongs to the product categories of Blocks; Bromides; Carboxes; Pyridines. This chemical's molecular formula is C10H12BrNO2 and molecular weight is 258.11. What's more, its systematic name is tert-butyl 5-bromopyridine-2-carboxylate.
Physical properties of 2-Pyridinecarboxylicacid, 5-bromo-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 2.74; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 39.19 Å2; (9)Index of Refraction: 1.531; (10)Molar Refractivity: 57.67 cm3; (11)Molar Volume: 186.3 cm3; (12)Polarizability: 22.86×10-24cm3; (13)Surface Tension: 40.9 dyne/cm; (14)Density: 1.385 g/cm3; (15)Flash Point: 145.9 °C; (16)Enthalpy of Vaporization: 55.91 kJ/mol; (17)Boiling Point: 317.6 °C at 760 mmHg; (18)Vapour Pressure: 0.00038 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)c1ccc(cn1)Br
(2)InChI: InChI=1S/C10H12BrNO2/c1-10(2,3)14-9(13)8-5-4-7(11)6-12-8/h4-6H,1-3H3
(3)InChIKey: GBAJDPJECJPPSP-UHFFFAOYSA-N