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| CAS No.: | 376587-52-9 |
|---|---|
| Name: | 5-Bromo-2-iodo-3-methylpyridine |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C6H5BrIN |
| Molecular Weight: | 297.921 |
| Synonyms: | 5-Bromo-2-iodo-3-methylpyridine;5-Bromo-2-iodo-?-picoline;pyridine, 5-bromo-2-iodo-3-methyl-; |
| EINECS: | 205-525-8 |
| Density: | 2.172 g/cm3 |
| Boiling Point: | 279.859 °C at 760 mmHg |
| Flash Point: | 123.054 °C |
| PSA: | 12.89000 |
| LogP: | 2.75710 |
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- Total:31 Page 1 of 1 1
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Specification
The 5-Bromo-2-iodo-3-methylpyridine, with the CAS registry number 376587-52-9, is also called 5-Bromo-2-iodo-ß-picoline. It belongs to the product category of Phamacitical. And the molecular formula of the chemical is C6H5BrIN.
The characteristics of 5-Bromo-2-iodo-3-methylpyridine are as followings: (1)ACD/LogP: 3.31; (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: 1.646; (8)Molar Refractivity: 49.766 cm3; (9)Molar Volume: 137.19 cm3; (10)Polarizability: 19.729×10-24cm3; (11)Surface Tension: 50.199 dyne/cm; (12)Density: 2.172 g/cm3; (13)Flash Point: 123.054 °C; (14)Enthalpy of Vaporization: 49.773 kJ/mol; (15)Boiling Point: 279.859 °C at 760 mmHg; (16)Vapour Pressure: 0.007 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cnc(I)c(c1)C
(2)InChI: InChI=1/C6H5BrIN/c1-4-2-5(7)3-9-6(4)8/h2-3H,1H3
(3)InChIKey: SWEVEMCJHLQDTR-UHFFFAOYAM