| Identification | More | [Name]
4-Bromo-2-fluorobenzoic acid | [CAS]
112704-79-7 | [Synonyms]
2-FLUORO-4-BROMOBENZOIC ACID
4-BROMO-2-FLUOROBENZOIC ACID
BUTTPARK 18\02-86
RARECHEM AL BO 0754
4-Bromo-2-Fluorobenzoic Acid 2-Fluoro-4-Bromobenzoic Acid
4-Bromo-2-fluorobenzoic
4-Bromo-2-fluorobenzoic acid 98%
4-Bromo-2-fluorobenzoicacid98% | [EINECS(EC#)]
630-232-3 | [Molecular Formula]
C7H4BrFO2 | [MDL Number]
MFCD00143263 | [Molecular Weight]
219.01 | [MOL File]
112704-79-7.mol |
| Questions And Answer | Back Directory | [Synthesis]
25g (132.3mmol, 1.0eq) of 2-fluoro-4-bromotoluene, 521mg (3.2mmol, 0.024eq) of AIBN, 1.6g (6.5mmol, 0.049eq) of Co(OAc)2·4H2O, and 449mg (4.4mmol, 0.033eq) of NaBr were dissolved in 250mL (10V) of HOAc. The mixture was stirred until completely dissolved and set aside. The temperature of the external bath of the reaction coil was raised to 130℃, and the pressure of the coil was adjusted to 1.2MPa with oxygen. Then the feed was started. The residence time of the system was 1.5h, and the oxygen content was 3-5eq. The system was directly pumped into 375 mL of purified water. The pH of the system was adjusted to 12–14 with NaOH solid. The aqueous phase was extracted twice with 125 mL MTBE. The pH of the aqueous phase was then adjusted to 1 with concentrated HCl, resulting in the precipitation of a large amount of solid. Filtration yielded 25.5 g of the target product, with a yield of 88%. ¹H-NMR (CDCl₃) δ: 7.38–7.42 (m, 2H), 7.89 (t, 1H, J = 7.88). |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
211-215 °C (lit.) | [Boiling point ]
289.4±25.0 °C(Predicted) | [density ]
1.7218 (rough estimate) | [refractive index ]
1.4240 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Solubility in methanol, very faint turbidity. | [form ]
Solid | [pka]
3.04±0.10(Predicted) | [color ]
White | [BRN ]
6323931 | [InChI]
InChI=1S/C7H4BrFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11) | [InChIKey]
ZQQSRVPOAHYHEL-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=C(Br)C=C1F | [CAS DataBase Reference]
112704-79-7(CAS DataBase Reference) | [EPA Substance Registry System]
Benzoic acid, 4-bromo-2-fluoro- (112704-79-7) |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powder | [Uses]
4-Bromo-2-fluorobenzoic Acid is a halogenated derivative of benzoic acid. 4-Bromo-2-fluorobenzoic Acid is used in the synthesis of pharmaceutically significant products such as d-Amino acid oxidase in
hibitors. | [General Description]
4-Bromo-2-fluorobenzoic acid is a halogen substituted benzoic acid. |
|
| Company Name: |
J & K SCIENTIFIC LTD.
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| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
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| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
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