| 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) |
| 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 | [HazardClass ]
IRRITANT | [HS Code ]
29163990 |
| 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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