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Name |
3-Bromo-4-Iodopyridine |
EINECS | 256-495-9 |
CAS No. | 89167-19-1 | Density | 2.347 g/cm3 |
PSA | 12.89000 | LogP | 2.44870 |
Solubility | N/A | Melting Point |
111-115℃ |
Formula | C5H3BrIN | Boiling Point | 264 °C at 760 mmHg |
Molecular Weight | 283.894 | Flash Point | 113.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-bromo-4-iodopyridine |
The 3-Bromo-4-Iodopyridine, with CAS registry number 89167-19-1, has the systematic name of pyridine, 3-bromo-4-iodo-. Its molecular weight is 283.89249. And the chemical formula of this chemical is C5H3BrIN.
Physical properties of 3-Bromo-4-Iodopyridine: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 65.88; (6)ACD/BCF (pH 7.4): 65.89; (7)ACD/KOC (pH 5.5): 697.37; (8)ACD/KOC (pH 7.4): 697.44; (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: 1.665; (14)Molar Refractivity: 44.94 cm3; (15)Molar Volume: 120.9 cm3; (16)Polarizability: 17.81×10-24cm3; (17)Surface Tension: 53.8 dyne/cm; (18)Density: 2.347 g/cm3; (19)Flash Point: 113.5 °C; (20)Enthalpy of Vaporization: 48.16 kJ/mol; (21)Boiling Point: 264 °C at 760 mmHg; (22)Vapour Pressure: 0.0163 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cncc(c1I)Br
(2)InChI: InChI=1/C5H3BrIN/c6-4-3-8-2-1-5(4)7/h1-3H
(3)InChIKey: LKDNPXCBLVOBRP-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C5H3BrIN/c6-4-3-8-2-1-5(4)7/h1-3H
(5)Std. InChIKey: LKDNPXCBLVOBRP-UHFFFAOYSA-N