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| CAS No.: | 89167-20-4 |
|---|---|
| Name: | 4-Bromo-3-iodopyridine |
| Molecular Structure: | |
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| Formula: | C5H3BrIN |
| Molecular Weight: | 283.894 |
| Synonyms: | pyridine, 4-bromo-3-iodo-;4-Bromo-3-iodopyridine; |
| Density: | 2.348g/cm3 |
| Boiling Point: | 279.99 °C at 760 mmHg |
| Flash Point: | 123.134 °C |
| PSA: | 12.89000 |
| LogP: | 2.44870 |
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- Total:29 Page 1 of 1 1
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Specification
The 4-Bromo-3-iodopyridine with cas registry number of 89167-20-4, belongs to the following product categories: Pyridine. It has the systematic name of 4-bromo-3-iodo-pyridine. And it is also called pyridine, 4-bromo-3-iodo-.
Physical properties about this chemical are: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.504; (4)ACD/LogD (pH 7.4): 2.504; (5)ACD/BCF (pH 5.5): 47.086; (6)ACD/BCF (pH 7.4): 47.109; (7)ACD/KOC (pH 5.5): 548.288; (8)ACD/KOC (pH 7.4): 548.553; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 44.941 cm3; (15)Molar Volume: 120.915 cm3; (16)Polarizability: 17.816×10-24cm3; (17)Surface Tension: 53.836 dyne/cm; (18)Enthalpy of Vaporization: 49.786 kJ/mol; (19)Vapour Pressure: 0.007 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cncc(c1Br)I
(2)InChI: InChI=1/C5H3BrIN/c6-4-1-2-8-3-5(4)7/h1-3H
(3)InChIKey: KDWZDHRURBJEIN-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C5H3BrIN/c6-4-1-2-8-3-5(4)7/h1-3H
(5)Std. InChIKey: KDWZDHRURBJEIN-UHFFFAOYSA-N