4-Bromo-2-(trifluoromethyl)benzaldehyde

Base Information

• Chemical Name: 4-Bromo-2-(trifluoromethyl)benzaldehyde
• CAS No.: 861928-27-0
• Molecular Formula: C₈H₄BrF₃O
• Molecular Weight: 253.018
• Hs Code.: 2913000090
• European Community (EC) Number: 677-025-4
• DSSTox Substance ID: DTXSID90479680
• Wikidata: Q72513349
• Mol file: 861928-27-0.mol

Synonyms:4-BROMO-2-(TRIFLUOROMETHYL)BENZALDEHYDE;861928-27-0;C8H4BrF3O;MFCD09037472;SCHEMBL207592;AMY3015;DTXSID90479680;4-bromo-2-trifluoromethylbenzaldehyde;AKOS005067715;4-Bromo-2-trifluoromethyl-benzaldehyde;BS-2121;CS-W009464;SY036228;FT-0659884;A15973;EN300-174709;4-Bromo-2-(trifluoromethyl)benzaldehyde, AldrichCPR;Z1269164777

Chemical Property of 4-Bromo-2-(trifluoromethyl)benzaldehyde

Chemical Property:

• Vapor Pressure: 0.033mmHg at 25°C
• Melting Point: 48-50 ºC
• Refractive Index: 1.518
• Boiling Point: 243.128 °C at 760 mmHg
• Flash Point: 100.84 °C
• Density: 1.678 g/cm³
• Storage Temp.: Refrigerated.
• Sensitive.: Air Sensitive
• Water Solubility.: Sparingly soluble in water (0.083 g/L) (25°C).
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 251.93976
• Heavy Atom Count: 13
• Complexity: 192

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-2-(trifluoromethyl)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)C(F)(F)F)C=O
• Uses: 4-Bromo-2-(trifluoromethyl)benzaldehyde is an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is also used as a pharmaceutical intermediate and intermediate in organic syntheses.

Technology Process of 4-Bromo-2-(trifluoromethyl)benzaldehyde

There total 7 articles about 4-Bromo-2-(trifluoromethyl)benzaldehyde 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: 95.0%

o-trifluoromethyl-4-bromo-α,α-dichlorotoluene → 4-dibromo-2-(trifluoromethyl)benzaldehyde (211796-64-4,861928-27-0)

Guidance literature:

With hydrogenchloride; iron(III) chloride; water; at 110 - 115 ℃; for 3h;

Reference yield: 84.0%

N-Formylpiperidine (2591-86-8) + 1,4-dibromo-2-(trifluoromethyl)benzene (7657-09-2) → 4-dibromo-2-(trifluoromethyl)benzaldehyde (211796-64-4,861928-27-0)

Guidance literature:

1,4-dibromo-2-(trifluoromethyl)benzene; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.166667h; Inert atmosphere;

N-Formylpiperidine; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/acs.macromol.9b00022

Reference yield: 70.0%

4-bromo-1-iodo-2-(trifluoromethyl)benzene (364-12-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-dibromo-2-(trifluoromethyl)benzaldehyde (211796-64-4,861928-27-0)

Guidance literature:

4-bromo-1-iodo-2-(trifluoromethyl)benzene; With n-butyllithium; In diethyl ether; hexane; at -87 ℃; for 0.25h;

N,N-dimethyl-formamide; With sulfuric acid; In diethyl ether; hexane; water; for 0.75h;

DOI:10.1021/jm501181z

upstream raw materials:

1,4-dibromo-2-(trifluoromethyl)benzene

N,N-dimethyl-formamide

4-bromo-1-(dibromomethyl)-2-(trifluoromethyl)benzene

4-bromo-1-iodo-2-(trifluoromethyl)benzene

Downstream raw materials:

1-(4-bromo-2-(trifluoromethyl)phenyl)ethan-1-one

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