3-Bromo-4-fluorobenzaldehyde

Base Information

• Chemical Name: 3-Bromo-4-fluorobenzaldehyde
• CAS No.: 77771-02-9
• Molecular Formula: C7H4BrFO
• Molecular Weight: 203.011
• Hs Code.: 29130000
• European Community (EC) Number: 278-764-1
• UNII: O61072992O
• DSSTox Substance ID: DTXSID6044989
• Nikkaji Number: J319.687I
• Wikidata: Q27285381
• ChEMBL ID: CHEMBL3183572
• Mol file: 77771-02-9.mol

Synonyms:3-Bromo-4-fluorobenzaldehyde;77771-02-9;4-Fluoro-3-bromobenzaldehyde;Benzaldehyde, 3-bromo-4-fluoro-;MFCD00042186;3-Bromo-fluorobenzyldehyde;DTXSID6044989;UNII-O61072992O;EINECS 278-764-1;O61072992O;3-bromo-4-fluoro-benzaldehyde;3-bromo4fluorobenzaldehyde;3-Bromo-4fluorobenzaldehyde;3-bromo4-fluorobenzaldehyde;3bromo-4-fluorobenzaldehyde;5-bromo-4-fluorobezaldehyde;3bromo-4-fluoro-benzaldehyde;5-bromo-4-fluorobenzaldehyde;3-bromo-4-fluoro-benzaldhyde;SCHEMBL154905;3-bromo-4-flouro-benzaldehyde;3-bromo-4-fluoro benzaldehyde;4-Fluoro-3-bromo-benzaldehyde;CHEMBL3183572;DTXCID4024989;CS-B1308;Tox21_301633;3-Bromo-4-fluorobenzaldehyde, 98%;STK503062;AKOS000121476;AC-2501;AM62101;DS-1470;PS-8174;NCGC00256205-01;SY001679;CAS-77771-02-9;B2143;FT-0615153;EN300-21085;W-104297;Q27285381;F2190-0591;Z104489526

Chemical Property of 3-Bromo-4-fluorobenzaldehyde

Chemical Property:

• Appearance/Colour: white to light yellow low melting solid
• Vapor Pressure: 0.004mmHg at 25°C
• Melting Point: 28-33 °C
• Refractive Index: 1.574
• Boiling Point: 311.9 °C at 760 mmHg
• Flash Point: 99 °C
• PSA: 17.07000
• Density: 1.67 g/cm³
• LogP: 2.40070
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Air Sensitive
• Water Solubility.: INSOLUBLE
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 201.94296
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

99% ^*data from raw suppliers

3-Bromo-4-fluorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, Xn
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=O)Br)F
• Uses: 3-Bromo-4-fluorobenzaldehyde can be used for pest control. 3-Bromo-4-fluorobenzaldehyde was used in the synthesis of 4-fluoro-3-phenoxybenzoic acid-glycine. It was also used in the synthesis of Schiff bases of 4-nitroaniline/ 2,4-dinitroaniline/3,4-dichloroaniline/4-methoxy-3-nitro aniline via ultrasound irradiation method.

Technology Process of 3-Bromo-4-fluorobenzaldehyde

There total 8 articles about 3-Bromo-4-fluorobenzaldehyde which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

4-fluorobenzaldehyde (459-57-4) → 3-bromo-4-fluorobenzaldehyde (77771-02-9)

Guidance literature:

With sulfuric acid; sulfur trioxide; bromine; iodine; zinc dibromide; at 30 - 40 ℃; for 5.91667h; Product distribution / selectivity; Inert atmosphere;

Reference yield: 87.0%

3-bromo-4-fluoro-benzyl alcohol (77771-03-0) → 3-bromo-4-fluorobenzaldehyde (77771-02-9)

Guidance literature:

With dipotassium peroxodisulfate; at 55 ℃; for 0.25h; Ionic liquid;

DOI:10.1080/00397910802374117

Reference yield: 61.0%

3-bromo-4-hydroxybenzylaldehyde (2973-78-6) → 3-bromo-4-fluorobenzaldehyde (77771-02-9)

Guidance literature:

With Cl^(1-)*C₂₇H₃₆ClN₂⁽¹⁺⁾*Cs⁽¹⁺⁾*F^(1-); In toluene; at 23 - 110 ℃; for 24h; Inert atmosphere;

DOI:10.1021/ol5035518

upstream raw materials:

4-fluorobenzaldehyde

1,2-dichloro-ethane

3-bromo-4-fluoro-benzyl alcohol

3-bromo-4-hydroxybenzylaldehyde

Downstream raw materials:

2-(3-Bromo-4-fluorophenyl)-1,3-dioxolane

methyl 2-fluoro-5-formylbenzoate

4-fluoro-3-(furan-2-yl)-benzaldehyde

4-fluoro-3-methylbenzaldehyde

Refernces

• 1、 Hussain, Muhammad Ijaz,Feng, Yangyang,Hu, Liangzhen,Deng, Qingfu,Zhang, Xiaohui,Xiong, Yan. "Copper-Catalyzed Oxidative Difunctionalization of Terminal Unactivated Alkenes". supporting information. p. 7852 - 7859. Retrieved 2018/05/30.
• 2、 -. "PROCESS FOR THE PREPARATION OF 3-BROMO - 4 - FLUOROBENZALDEHYDE". Page/Page column 11-12. . Retrieved 2010/08/09.