2-Chloro-5-(trifluoromethyl)benzaldehyde

Base Information

• Chemical Name: 2-Chloro-5-(trifluoromethyl)benzaldehyde
• CAS No.: 82386-89-8
• Molecular Formula: C8H4ClF3O
• Molecular Weight: 208.567
• Hs Code.: 29130000
• European Community (EC) Number: 625-931-5
• DSSTox Substance ID: DTXSID60350816
• Nikkaji Number: J2.649.652G
• Wikidata: Q72460134
• Mol file: 82386-89-8.mol

Synonyms:2-Chloro-5-(trifluoromethyl)benzaldehyde;82386-89-8;2-chloro-5-trifluoromethylbenzaldehyde;Benzaldehyde, 2-chloro-5-(trifluoromethyl)-;MFCD00134430;SCHEMBL132042;DTXSID60350816;BBL103781;CK2100;STL557591;AKOS005216079;AC-2778;AM61665;CS-W015202;PS-8034;2-chloro-5-trifluoromethyl-benzaldehyde;4-trans-Propylcyclohexyl-4-ethylbiphenyl;SY002883;2-chloro-5-(trifluoromethyl) benzaldehyde;C2047;FT-0641861;2-Chloro-5-(trifluoromethyl)benzaldehyde, 98%;EN300-116579;J-508797;Z1269110496

Chemical Property of 2-Chloro-5-(trifluoromethyl)benzaldehyde

Chemical Property:

• Appearance/Colour: clear, colorless to pale yellow liquid
• Vapor Pressure: 0.453mmHg at 25°C
• Refractive Index: n20/D 1.488(lit.)
• Boiling Point: 193.9 °C at 760 mmHg
• Flash Point: 89.4 °C
• PSA: 17.07000
• Density: 1.423 g/cm³
• LogP: 3.17130
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 207.9902769
• Heavy Atom Count: 13
• Complexity: 192

Purity/Quality:

98% ^*data from raw suppliers

2-Chloro-5-(trifluoromethyl)benzaldehyde ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)C=O)Cl
• Uses: 2-Chloro-5-(trifluoromethyl)benzaldehyde may be used as reactant in the three-component reaction of 2-halogenated aromatic aldehydes, 1H-benzo[d]imidazol-5-amine and cyclohexane-1,3-diones to afford imidazoquinolinoacridinone derivatives. It may be used in the gas-phase chemical derivatization of poly(tetrafluoroethylene) and poly(ethylene terephthalate) using gas plasma.

Technology Process of 2-Chloro-5-(trifluoromethyl)benzaldehyde

There total 4 articles about 2-Chloro-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: 88.0%

(2-chloro-5-(trifluoromethyl)phenyl)methanol (64372-62-9) → 2-chloro-5-(trifluoromethyl)benzaldehyde (82386-89-8)

Guidance literature:

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; copper diacetate; In water; acetonitrile; at 20 ℃; for 6h; Green chemistry;

DOI:10.1016/j.tetlet.2013.09.050

Reference yield:

1-chloro-2-(chloromethyl)-4-(trifluoromethyl)benzene (22902-87-0) → 2-chloro-5-(trifluoromethyl)benzaldehyde (82386-89-8)

Guidance literature:

With hydrogenchloride; (CH₂)6N₄; Yield given. Multistep reaction; 1) 2 h reflux in AcOH-H₂O; 2) 15 min. reflux;

DOI:10.1135/cccc19820967

Reference yield:

formaldoxime (75-17-2) + 3-amino-4-chlorobenzotrifluoride (121-50-6) → 2-chloro-5-(trifluoromethyl)benzaldehyde (82386-89-8)

Guidance literature:

With hydrogenchloride; sodium acetate; copper(II) sulfate; sodium sulfite; sodium nitrite; Yield given. Multistep reaction; 1) H₂O, 0-5 deg C; 2) 2 h, 10-20 deg C; 3) aq. HCl;

DOI:10.1135/cccc19820967

upstream raw materials:

1-chloro-2-(chloromethyl)-4-(trifluoromethyl)benzene

(2-chloro-5-(trifluoromethyl)phenyl)methanol

formaldoxime

3-amino-4-chlorobenzotrifluoride

Downstream raw materials:

2-chloro-5-trifluoromethylphenylethylene oxide

(E,E)-methyl3-methoxy-2-(2-((((5-trifluoromethyl-1-(1H-benzo[b]thien-2-yl)ethylidene)amino)oxy)methyl)phenyl)-propenoate

(E,E)-methyl 2-(2-((((5-trifluoromethyl-1-(1H-benzo-[b]thien-2-yl)ethylidene)amino)oxy)methyl)phenyl)-2-methoxyiminoacetate

(E)-N-methoxy-N-(2-((5-trifluoromethyl-1-(1H-benzo[b]thien-2-yl)ethylidene)aminooxymethyl)phenyl)carbamic acid methyl ester