| Identification | More | [Name]
5-Bromo-2-fluorobenzoic acid | [CAS]
146328-85-0 | [Synonyms]
2-FLUORO-5-BROMOBENZOIC ACID
5-BROMO-2-FLUOROBENZOIC ACID
BUTTPARK 19\01-67
RARECHEM AL BO 0757
5-Bromo-2-Fluorobenzoic Acid 2-Fluoro-5-Bromobenzoic Acid
5-Bromo-2-fluorobenzoic
5-Bromo-2-fluorobenzoic acid 97%
5-Bromo-2-fluorobenzoicacid97% | [EINECS(EC#)]
604-519-9 | [Molecular Formula]
C7H4BrFO2 | [MDL Number]
MFCD00143423 | [Molecular Weight]
219.01 | [MOL File]
146328-85-0.mol |
| Chemical Properties | Back Directory | [Melting point ]
141-145 °C (lit.) | [Boiling point ]
296.5±25.0 °C(Predicted) | [density ]
1.789±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
2.88±0.10(Predicted) | [color ]
White to Light yellow to Light orange | [Water Solubility ]
Slightly soluble in water. | [InChI]
InChI=1S/C7H4BrFO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11) | [InChIKey]
PEXAZYDITWXYNJ-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC(Br)=CC=C1F | [CAS DataBase Reference]
146328-85-0(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
UN 2811 6.1/PG 3
| [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [PackingGroup ]
Ⅲ | [HS Code ]
29163990 |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Uses]
5-Bromo-2-fluorobenzoic acid is used as a pharmaceutical and organic intermediate. | [Synthesis]
First, the sodium periodate solution was prepared: 7.7 g (36 mmol) of sodium periodate was dissolved in a solvent mixture of 40 ml of deionized water and 26 ml of acetic acid. Next, 10 g (71.4 mmol) of o-fluorobenzoic acid and 7.35 g (71.4 mmol) of sodium bromide were added to the reaction flask, followed by the addition of the prepared sodium periodate solution. The reaction system was heated to 30 °C and then 6.0 ml of concentrated sulfuric acid was added slowly and dropwise. After the dropwise addition, the temperature was raised to 50-65°C and maintained at this temperature for 2-3 hours. The progress of the reaction was monitored by thin layer chromatography (TLC) and after confirming the completion of the reaction, the reaction solution was cooled to room temperature and poured into ice water. The precipitated solid was collected by filtration and the filter cake was washed several times with deionized water and dried to give 14.6 g of 2-fluoro-5-bromobenzoic acid in 87.9% yield. | [References]
[1] Journal of Organometallic Chemistry, 2008, vol. 693, # 18, p. 3081 - 3091
[2] Patent: CN107954852, 2018, A. Location in patent: Paragraph 0035-0037
[3] Patent: WO2017/46318, 2017, A1. Location in patent: Page/Page column 54 |
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