ChemicalBook--->CAS DataBase List--->56962-04-0

56962-04-0

56962-04-0 Structure

56962-04-0 Structure
IdentificationBack Directory
[Name]

3-Bromo-5-chlorophenol
[CAS]

56962-04-0
[Synonyms]

3-BroMo-chlorophenol
3-BroMo-5-chlorophenol, 97+%
[EINECS(EC#)]

611-435-6
[Molecular Formula]

C6H4BrClO
[MDL Number]

MFCD07780676
[MOL File]

56962-04-0.mol
[Molecular Weight]

207.45
Chemical PropertiesBack Directory
[Melting point ]

66-70℃
[Boiling point ]

256°C (rough estimate)
[density ]

1.6027 (rough estimate)
[vapor pressure ]

0.004-0.084Pa at 20-50℃
[refractive index ]

1.5730 (estimate)
[storage temp. ]

Refrigerated.
[form ]

Solid
[pka]

8.04±0.10(Predicted)
[Appearance]

White to off-white Solid
[LogP]

3.2 at 25℃ and pH2
[Surface tension]

54.7mN/m at 1g/L and 20℃
[CAS DataBase Reference]

56962-04-0
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H312-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P304+P340-P305+P351+P338-P405-P501a
[HS Code ]

2908190090
Spectrum DetailBack Directory
[Spectrum Detail]

3-Bromo-5-chlorophenol(56962-04-0)1HNMR
3-Bromo-5-chlorophenol(56962-04-0)FT-IR
Hazard InformationBack Directory
[Synthesis]

3-BROMOCHLOROBENZENE

108-37-2

3-Bromo-5-chlorophenol

56962-04-0

General procedure for the synthesis of 3-bromo-5-chlorophenol from m-chlorobromobenzene: In an argon-purged flask, (1,5-cyclooctadiene)(methoxy)iridium(I) dimer (84 mg, 0.13 mmol), 4,4'-di-tert-butyl-2,2'-bipyridine (69 mg, 0.26 mmol), and bis(pinacolate)diboron (1.29 g, 5.11 mmol) were added. 5.11 mmol), followed by hexane (26 mL) and 1-bromo-3-chlorobenzene (1 mL, 8.51 mmol) sequentially. The reaction mixture was stirred at room temperature for 18 hours. Upon completion of the reaction, the mixture was concentrated under vacuum and redissolved in acetone (26 mL) followed by addition of an aqueous (26 mL) solution of Oxone (5.23 g, 8.51 mmol) [Note: exothermic phenomena were observed during the reaction].After 10 min, the reaction mixture was diluted with dichloromethane. The organic and aqueous layers were separated and the aqueous layer was extracted with dichloromethane. The organic phases were combined, washed with brine, dried and concentrated in vacuum to give 3-bromo-5-chlorophenol (1.43 g, 81% yield).LCMS (Method 3): retention time 3.74 min, mass-to-charge ratio m/z 205,207 [M-H+].

[References]

[1] Patent: US2014/364412, 2014, A1. Location in patent: Paragraph 0683; 0684
[2] Patent: WO2014/195402, 2014, A1. Location in patent: Page/Page column 217
[3] Patent: WO2009/115515, 2009, A1. Location in patent: Page/Page column 44-45
[4] Journal of the American Chemical Society, 2003, vol. 125, # 26, p. 7792 - 7793
[5] Synthesis, 2011, # 6, p. 857 - 859
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