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CAS No.: | 884495-42-5 |
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Name: | 2-Bromo-3-chloro-4-picoline |
Molecular Structure: | |
Formula: | C6H5BrClN |
Molecular Weight: | 206.47 |
Synonyms: | 2-bromo-3-chloro-4-methylpyridine; |
Density: | 1.624 g/cm3 |
Boiling Point: | 251.5 °C at 760 mmHg |
Flash Point: | 105.9 °C |
PSA: | 12.89000 |
LogP: | 2.80590 |
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The Pyridine,2-bromo-3-chloro-4-methyl-, with CAS registry number 884495-42-5, belongs to the following product category: Pyridine. It has the systematic name of pyridine, 2-bromo-3-chloro-4-methyl-. Besides this, it is also called 2-Bromo-3-chloro-4-picoline. And the chemical formula of this chemical is C6H5BrClN.
Physical properties of Pyridine,2-bromo-3-chloro-4-methyl-: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 2.74; (5)ACD/BCF (pH 5.5): 71.75; (6)ACD/BCF (pH 7.4): 71.75; (7)ACD/KOC (pH 5.5): 741.3; (8)ACD/KOC (pH 7.4): 741.3; (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: 1.571; (14)Molar Refractivity: 41.75 cm3; (15)Molar Volume: 127 cm3; (16)Polarizability: 16.55×10-24cm3; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.624 g/cm3; (19)Flash Point: 105.9 °C; (20)Enthalpy of Vaporization: 46.91 kJ/mol; (21)Boiling Point: 251.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0323 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccnc(c1Cl)Br
(2)InChI: InChI=1/C6H5BrClN/c1-4-2-3-9-6(7)5(4)8/h2-3H,1H3
(3)InChIKey: RLGRCRSMZFZRPK-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C6H5BrClN/c1-4-2-3-9-6(7)5(4)8/h2-3H,1H3
(5)Std. InChIKey: RLGRCRSMZFZRPK-UHFFFAOYSA-N