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CAS No.: | 884494-42-2 |
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Name: | 2-Bromo-3-iodo-4-methyl pyridine |
Molecular Structure: | |
Formula: | C6H5BrIN |
Molecular Weight: | 297.91907 |
Synonyms: | 2-Bromo-3-iodo-4-methyl pyridine;BroMo-3-iodo-4-Methyl pyridine |
Density: | 2.171g/cm3 |
Boiling Point: | 305.9 °C at 760 mmHg |
Flash Point: | 138.8 °C |
PSA: | 12.89000 |
LogP: | 2.75710 |
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The Pyridine,2-bromo-3-iodo-4-methyl-, with CAS registry number 884494-42-2, has the systematic name of 2-bromo-3-iodo-4-methyl-pyridine. Besides this, it is also called 2-Bromo-3-iodo-4-picoline. Its molecular weight is 297.91907. And the chemical formula of this chemical is C6H5BrIN.
Physical properties of Pyridine,2-bromo-3-iodo-4-methyl-: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 2.98; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 12.89 Å2; (9)Index of Refraction: 1.645; (10)Molar Refractivity: 49.76 cm3; (11)Molar Volume: 137.1 cm3; (12)Polarizability: 19.72×10-24cm3; (13)Surface Tension: 50.1 dyne/cm; (14)Density: 2.171 g/cm3; (15)Flash Point: 138.8 °C; (16)Enthalpy of Vaporization: 52.45 kJ/mol; (17)Boiling Point: 305.9 °C at 760 mmHg; (18)Vapour Pressure: 0.00145 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccnc(c1I)Br
(2)InChI: InChI=1/C6H5BrIN/c1-4-2-3-9-6(7)5(4)8/h2-3H,1H3
(3)InChIKey: QXDGAEFNHPQAJR-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H5BrIN/c1-4-2-3-9-6(7)5(4)8/h2-3H,1H3
(5)Std. InChIKey: QXDGAEFNHPQAJR-UHFFFAOYSA-N