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496-69-5

496-69-5 Structure

496-69-5 Structure
IdentificationMore
[Name]

2-Bromo-4-fluorophenol
[CAS]

496-69-5
[Synonyms]

2-BROMO-4-FLUOROPHENOL
2-Bromo-4-fluorophenol,98+%
2-Bromo-4-fluorophenol 97%
2-Bromo-4-fluorophenol97%
2-BROMO-4-FLUOROPHENOL 99+%
[Molecular Formula]

C6H4BrFO
[MDL Number]

MFCD00010614
[Molecular Weight]

191
[MOL File]

496-69-5.mol
Chemical PropertiesBack Directory
[Appearance]

light brown to brown crystalline solid
[Melting point ]

43-45 °C (lit.)
[Boiling point ]

89 °C/1 mmHg (lit.)
[density ]

1.744
[refractive index ]

1.554
[Fp ]

185 °F
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

Crystalline Solid
[pka]

8.44±0.18(Predicted)
[color ]

Light brown to brown
[BRN ]

2355593
[InChI]

InChI=1S/C6H4BrFO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H
[InChIKey]

MEYRABVEYCFHHB-UHFFFAOYSA-N
[SMILES]

C1(O)=CC=C(F)C=C1Br
[CAS DataBase Reference]

496-69-5(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Warning
[Hazard statements ]

H228-H302+H312+H332-H302-H315-H319-H335
[Precautionary statements ]

P210-P240-P241-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P261-P305+P351+P338-P280a-P304+P340-P405-P501a
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

3276
[WGK Germany ]

3
[Hazard Note ]

Irritant
[REACH Registrations]

Inactive
[PackingGroup ]

III
[HS Code ]

29071990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

light brown to brown crystalline solid
[Uses]

2-Bromo-4-fluorophenol was used in preparation of 4,4-difluoro-2-bromo-cyclohexadienone and 6-(aminomethylphenoxy)benzoxaborole analogs.
[Synthesis]

2-Bromo-4-fluoro-1-(methoxymethoxy)benzene

474711-11-0

2-Bromo-4-fluorophenol

496-69-5

GENERAL METHOD: BiCl3 (30 mol%) was added to a stirred solution of MeCN/H2O (5:0.1 mL; 5:0.1 v/v) containing MOM-protected phenol (1 mmol). The reaction mixture was stirred at 50 °C until the reaction was complete (monitored by TLC). Upon completion of the reaction, the mixture was filtered using CH2Cl2 (10 mL) over a pad of diatomaceous earth. The filtrate was dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (eluent hexane/EtOAc mixture) to afford the target product 2-bromo-4-fluorophenol in 76-95% yield. All phenolic products were analyzed by IR and NMR spectroscopy and verified by comparison with real samples.

[References]

[1] Synthetic Communications, 2016, vol. 46, # 7, p. 586 - 593
Spectrum DetailBack Directory
[Spectrum Detail]

2-Bromo-4-fluorophenol(496-69-5)MS
2-Bromo-4-fluorophenol(496-69-5)1HNMR
2-Bromo-4-fluorophenol(496-69-5)13CNMR
2-Bromo-4-fluorophenol(496-69-5)IR1
2-Bromo-4-fluorophenol(496-69-5)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Bromo-4-fluorophenol, 98%(496-69-5)
[Alfa Aesar]

2-Bromo-4-fluorophenol, 98+%(496-69-5)
[Sigma Aldrich]

496-69-5(sigmaaldrich)
[TCI AMERICA]

2-Bromo-4-fluorophenol,>96.0%(GC)(496-69-5)
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