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5-Bromo-2-iodo-3-methylpyridine

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Name

5-Bromo-2-iodo-3-methylpyridine

EINECS 205-525-8
CAS No. 376587-52-9 Density 2.172 g/cm3
PSA 12.89000 LogP 2.75710
Solubility N/A Melting Point N/A
Formula C6H5BrIN Boiling Point 279.859 °C at 760 mmHg
Molecular Weight 297.921 Flash Point 123.054 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 376587-52-9 (5-Bromo-2-iodo-3-methylpyridine) Hazard Symbols N/A
Synonyms

5-Bromo-2-iodo-3-methylpyridine;5-Bromo-2-iodo-?-picoline;pyridine, 5-bromo-2-iodo-3-methyl-;

Article Data 11

5-Bromo-2-iodo-3-methylpyridine 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

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