870703-68-7

Basic information

• Product Name: 3,6-dibromo-2-fluorobenzaldehyde
• Synonyms: Benzaldehyde, 3,6-dibromo-2-fluoro-;3,6-dibromo-2-fluorobenzaldehyde ISO 9001：2015 REACH
• CAS NO: 870703-68-7
• Molecular Formula: C₇H₃Br₂FO
• Molecular Weight: 281.9
• Product Categories: Aldehydes;C7;Carbonyl Compounds
• Mol File: 870703-68-7.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 277°C at 760 mmHg
• Flash Point: 121.3°C
• Appearance: /
• Density: 2.047g/cm³
• Vapor Pressure: 0.00463mmHg at 25°C
• Refractive Index: 1.62
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: 3,6-dibromo-2-fluorobenzaldehyde(CAS DataBase Reference)
• NIST Chemistry Reference: 3,6-dibromo-2-fluorobenzaldehyde(870703-68-7)
• EPA Substance Registry System: 3,6-dibromo-2-fluorobenzaldehyde(870703-68-7)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 870703-68-7(Hazardous Substances Data)

Usage

General Description

3,6-dibromo-2-fluorobenzaldehyde, also known as DBFBA, is a chemical compound with the molecular formula C7H3Br2FO. It is a white to light yellow solid and is commonly used in organic synthesis and pharmaceutical research. DBFBA is a highly reactive compound with a strong and distinctive odor. It is often utilized as a building block in the production of various pharmaceuticals, agrochemicals, and other fine chemicals. Additionally, it is known for its use in the preparation of various ligands, catalysts, and bioactive molecules. However, it is crucial to handle DBFBA with caution due to its potential hazards and risks to health and the environment.

InChI:InChI=1/C7H3Br2FO/c8-5-1-2-6(9)7(10)4(5)3-11/h1-3H

Upstream product

• 1435-52-5 2,5-dibromofluorobenzene 
• 68-12-2 N,N-dimethyl-formamide 

Downstream Products

• 861928-18-9 1,4-dibromo-2-(dimethoxymethyl)-3-fluorobenzene 
• 5118-13-8 4-bromobenzo[b]thiophene 
• 1391908-38-5 3,6-dibromo-2-(t-butylsulfanyl)(ethynyl)benzene 
• 1391908-43-2 4,7-bis{4-[5-hexyl-2-(triisopropylsilylethynyl)-3-thienyl]phenyl}-2-methylbenzo[b]thiophene 
• 1391908-32-9 C₃₆H₄₅BrS₂Si 
• 1391908-44-3 4-{4-[5-hexyl-2-(phenylethynyl)-3-thienyl]phenyl}-7-{4-[5-hexyl-2-(triisopropylsilylethynyl)-3-thienyl]phenyl}-2-methylbenzo[b]thiophene 
• 1391908-33-0 4-bromo-7-{4-[5-hexyl-2-(triisopropylsilylethynyl)-3-thienyl]phenyl}-2-methylbenzo[b]thiophene 
• 1391908-37-4 3,6-dibromo-2-(t-butylsulfanyl)benzaldehyde 
• 1203953-12-1 methyl 4-fluoro-2-(4-methoxybenzyl)-1-oxoisoindoline-5-carboxylate 

Relevant articles and documents

Halogen-lithium exchange between substituted dihalobenzenes and butyllithium: Application to the regioselective synthesis of functionalized bromobenzaldehydes

Halogen-lithium interconversion reactions between unsymmetrically substituted mono- and bifunctional dihalobenzenes C6H 3XHal2 and C6H2XYHal2 (Hal=Br, I; X, Y=F, OR, CF3, CH(OMe)2) and butyllithium were investigated. The resultant organolithium intermediates were converted into the corresponding benzaldehydes in moderate to good yields. As a rule, bromine atoms in the position ortho to the functional group were replaced preferentially with lithium. Intramolecular competition experiments with bifunctional systems revealed that fluorine is capable of activating the neighboring bromine atom more strongly than methoxy and dimethoxymethyl groups. On the replacement of the non-activated bromine with iodine a complete reversal of this reactivity pattern can be accomplished due to the preferred iodine-lithium exchange.