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CAS No.: | 144584-29-2 |
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Name: | 3-Bromo-2-chloro-4-methoxypyridine |
Molecular Structure: | |
Formula: | C6H5BrClNO |
Molecular Weight: | 222.467 |
Synonyms: | 3-bromo-2-chloro-4-methoxypyridine |
Density: | 1.65 g/cm3 |
Boiling Point: | 261.243 °C at 760 mmHg |
Flash Point: | 111.796 °C |
PSA: | 22.12000 |
LogP: | 2.50610 |
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The 3-Bromo-2-chloro-4-methoxypyridine has CAS registry number 144584-29-2. This chemical's molecular formula is C6H5BrClNO and molecular weight is 222.467. What's more, its systematic name is 3-Bromo-2-chloro-4-methoxypyridine.
Physical properties about 3-Bromo-2-chloro-4-methoxypyridine are: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 60; (6)ACD/BCF (pH 7.4): 60; (7)ACD/KOC (pH 5.5): 649; (8)ACD/KOC (pH 7.4): 649; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 43.608 cm3; (15)Molar Volume: 134.795 cm3; (16)Polarizability: 17.287×10-24 cm3; (17)Surface Tension: 42.642 dyne/cm; (18)Density: 1.65 g/cm3; (19)Flash Point: 111.796 °C; (20)Enthalpy of Vaporization: 47.883 kJ/mol; (21)Boiling Point: 261.243 °C at 760 mmHg; (22)Vapour Pressure: 0.019 mmHg at 25 °C.
Preparation of 3-Bromo-2-chloro-4-methoxypyridine: this chemical is prepared by 3-Bromo-2, 4-dichloro-pyridine by heating. The reaction needs reagent NaOMe and solvent Methanol. The reaction time is 8 hours. The yield is about 78 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1c(OC)ccnc1Cl
(2) InChI: InChI=1/C6H5BrClNO/c1-10-4-2-3-9-6(8)5(4)7/h2-3H,1H3
(3) InChIKey: WNCWAYKQILUYEO-UHFFFAOYAX