| Identification | More | [Name]
2-Bromo-5-fluorobenzoic acid | [CAS]
394-28-5 | [Synonyms]
2-BROMO-5-FLUOROBENZOIC ACID
BUTTPARK 19\01-66
RARECHEM AL BO 0747
2-bromo-5-fluorobenzoicacid,98%
2-Bromo-5-Fluorobenzoic
2-Bromo-5-fluorobenzoic acid 98% | [EINECS(EC#)]
609-678-8 | [Molecular Formula]
C7H4BrFO2 | [MDL Number]
MFCD00142874 | [Molecular Weight]
219.01 | [MOL File]
394-28-5.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
154-157 °C (lit.) | [Boiling point ]
291.1±25.0 °C(Predicted) | [density ]
1.789±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
2.51±0.10(Predicted) | [color ]
White to Almost white | [BRN ]
2575978 | [InChI]
InChI=1S/C7H4BrFO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11) | [InChIKey]
OQBMJMJZMDBQSM-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC(F)=CC=C1Br | [CAS DataBase Reference]
394-28-5(CAS DataBase Reference) | [EPA Substance Registry System]
Benzoic acid, 2-bromo-5-fluoro- (394-28-5) |
| Questions And Answer | Back Directory | [Uses]
2-Bromo-5-fluorobenzoic acid, a common organic synthesis intermediate, is primarily used to synthesize target molecular structures by utilizing the bromine and fluorine atoms on the benzene ring. For example, the bromine atom can undergo Suzuki coupling to introduce an aromatic ring or alkyl chain; or it can be converted into boric acid or borate esters, leveraging the versatility of borate esters to synthesize complex molecules. The fluorine atom can also undergo a series of transformations, including aromatic nucleophilic substitution reactions. Finally, the carboxyl group on the benzene ring can be readily converted into amides, esters, viboramides, etc. |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
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 . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [TSCA ]
TSCA listed | [HazardClass ]
IRRITANT | [HS Code ]
29163990 | [Storage Class]
13 - Non Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powder | [Synthesis]
2-Bromo-5-fluorobenzoic acid is synthesized from 5-(2′-bromophenoxy)benzothiazole and 2,3,4,5,6-pentafluorobenzoyl chloride in three steps. The synthesis involves bromination of benzothiazole with NBS followed by reaction with 4-fluoroaniline to give the intermediate which is then reacted with pentafluorobenzoyl chloride. | [References]
[1] Patent: WO2005/56544, 2005, A1. Location in patent: Page/Page column 46 |
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