CAS No.55404-31-4,3-BROMO-2-CHLORO-4-PICOLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	55404-31-4
Name:	3-BROMO-2-CHLORO-4-PICOLINE
Article Data:	3

Formula:	C₆H₅BrClN
Molecular Weight:	206.469
Synonyms:	3-Bromo-2-chloro-4-methylpyridine;3-Bromo-2-chloro-4-picoline;ZINC02526722;AB1005043;ST51052483;
Density:	1.624 g/cm³
Boiling Point:	250.3 °C at 760 mmHg
Flash Point:	105.2 °C
PSA:	12.89000
LogP:	2.80590

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Specification

The 2-Chloro-3-bromo-4-methylpyridine with CAS registry number of 55404-31-4 is also known as 3-Bromo-2-chloro-4-picoline. The IUPAC name is 3-Bromo-2-chloro-4-methylpyridine. In addition, the formula is C₆H₅BrClN and the molecular weight is 206.47.

Physical properties about 2-Chloro-3-bromo-4-methylpyridine are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79 ; (5)#H bond acceptors: 1; (6)Polar Surface Area: 12.89 ?2; (7)Index of Refraction: 1.571; (8)Molar Refractivity: 41.75 cm³; (9)Molar Volume: 127 cm³; (10)Polarizability: 16.55×10^-24cm³; (11)Surface Tension: 43 dyne/cm; (12)Density: 1.624 g/cm³; (13)Flash Point: 105.2 °C; (14)Enthalpy of Vaporization: 46.78 kJ/mol; (15)Boiling Point: 250.3 °C at 760 mmHg; (16)Vapour Pressure: 0.0346 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC1=C(C(=NC=C1)Cl)Br
2. InChI: InChI=1S/C6H5BrClN/c1-4-2-3-9-6(8)5(4)7/h2-3H,1H3
3. InChIKey: QPFHYDFGKXHWIN-UHFFFAOYSA-N