| Identification | More | [Name]
4-Bromo-3-fluorobenzaldehyde | [CAS]
133059-43-5 | [Synonyms]
4-BROMO-3-FLUOROBENZALDEHYDE
4-Bromo-3-fluorobenzaldehyde 98%
4-Bromo-3-fluorobenzaldehyde98%
3-Fluoro-4-bromobenzaldehyde | [Molecular Formula]
C7H4BrFO | [MDL Number]
MFCD03095000 | [Molecular Weight]
203.01 | [MOL File]
133059-43-5.mol |
| Chemical Properties | Back Directory | [Melting point ]
55-59 °C | [Boiling point ]
240.2±25.0 °C(Predicted) | [density ]
1.670±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [color ]
White to Light yellow | [InChI]
InChI=1S/C7H4BrFO/c8-6-2-1-5(4-10)3-7(6)9/h1-4H | [InChIKey]
SWHUROFMIMHWKS-UHFFFAOYSA-N | [SMILES]
C(=O)C1=CC=C(Br)C(F)=C1 | [CAS DataBase Reference]
133059-43-5(CAS DataBase Reference) |
| 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 | [HS Code ]
29130000 |
| Hazard Information | Back Directory | [Chemical Properties]
White powder | [Uses]
4-Bromo-3-fluorobenzaldehyde is used in preparation of the Deuterated Dihydropyrimidine compound and their application as anti-HBV agent. | [Synthesis]
General procedure for the synthesis of 3-fluoro-4-bromobenzaldehyde from 4-bromo-3-fluorobenzyl alcohol: Manganese dioxide (18.7 g, 210 mmol) was added to a solution of 4-bromo-3-fluorobenzyl alcohol (4.3 g, 21 mmol) in chloroform (50 mL), and the reaction mixture was stirred at 37 °C overnight. The progress of the reaction was monitored by thin layer chromatography (TLC) until the raw material was completely consumed. Upon completion of the reaction, the mixture was filtered and the filtrate was concentrated under reduced pressure to afford the target product 3-fluoro-4-bromobenzaldehyde (2.3 g, 55% yield). | [References]
[1] Patent: US2010/216806, 2010, A1. Location in patent: Page/Page column 103
[2] Patent: US6297239, 2001, B1 |
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