3-Bromo-5-(trifluoromethyl)benzaldehyde

Base Information

• Chemical Name: 3-Bromo-5-(trifluoromethyl)benzaldehyde
• CAS No.: 477535-41-4
• Molecular Formula: C8H4BrF3O
• Molecular Weight: 253.018
• Hs Code.: 2913000090
• European Community (EC) Number: 639-309-6
• DSSTox Substance ID: DTXSID40583029
• Nikkaji Number: J2.883.341E
• Wikidata: Q72513352
• Mol file: 477535-41-4.mol

Synonyms:3-Bromo-5-(trifluoromethyl)benzaldehyde;477535-41-4;3-BROMO-5-TRIFLUOROMETHYLBENZALDEHYDE;Benzaldehyde, 3-bromo-5-(trifluoromethyl)-;MFCD08059506;3-Bromo-5-Trifluoromethyl benzaldehyde;SCHEMBL344606;DTXSID40583029;CL8310;AKOS005257827;3-Bromo-5-trifluoromethyl-benzaldehyde;AB43122;AM61559;CS-W010196;PS-7448;3-bromo-5-(trifluoromethyl) benzaldehyde;BP-13122;SY021846;B4974;A23108;EN300-119269;3-Bromo-5-(trifluoromethyl)benzaldehyde, AldrichCPR;J-511979

Chemical Property of 3-Bromo-5-(trifluoromethyl)benzaldehyde

Chemical Property:

• Vapor Pressure: 0.123mmHg at 25°C
• Refractive Index: 1.5110
• Boiling Point: 218.9 °C at 760 mmHg
• Flash Point: 86.2 °C
• PSA: 17.07000
• Density: 1.677 g/cm³
• LogP: 3.28040
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• 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:

97% ^*data from raw suppliers

3-Bromo-5-(trifluoromethyl)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)Br)C=O

Technology Process of 3-Bromo-5-(trifluoromethyl)benzaldehyde

There total 7 articles about 3-Bromo-5-(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: 85.0%

→ 3-bromo-5-(trifluoromethyl)benzaldehyde (477535-41-4)

Guidance literature:

Reference yield: 54.0%

1,3-dibromo-5-(trifluoromethyl)benzene (401-84-3) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3-bromo-5-(trifluoromethyl)benzaldehyde (477535-41-4)

Guidance literature:

1,3-dibromo-5-(trifluoromethyl)benzene; With n-butyllithium; In diethyl ether; hexane; at -78 ℃; for 0.25h;

N,N-dimethyl-formamide; In diethyl ether; hexane; at -78 - 20 ℃; for 1h;

Reference yield:

(3‐bromo‐5‐(trifluoromethyl)phenyl)methanol (172023-97-1) → 3-bromo-5-(trifluoromethyl)benzaldehyde (477535-41-4)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 0 - 20 ℃; for 1h;

upstream raw materials:

(3‐bromo‐5‐(trifluoromethyl)phenyl)methanol

3,5-dibromophenol

N,N-dimethyl-formamide

3-bromo-5-(trifluoromethyl)benzoic acid

Downstream raw materials:

1-[3-bromo-5-(trifluoromethyl)phenyl]-N,N-dimethylmethanamine

(3-formyl-5-trifluoromethylphenyl)carbamic acid 2-trimethylsilanylethyl ester

1-[3-bromo-5-(trifluoromethyl)phenyl]ethanol

(3‐bromo‐5‐(trifluoromethyl)phenyl)methanol