4-Chloro-3-(trifluoromethyl)benzaldehyde

Base Information

• Chemical Name: 4-Chloro-3-(trifluoromethyl)benzaldehyde
• CAS No.: 34328-46-6
• Molecular Formula: C8H4ClF3O
• Molecular Weight: 208.567
• Hs Code.: 29130000
• European Community (EC) Number: 251-940-5
• DSSTox Substance ID: DTXSID50187895
• Nikkaji Number: J287.902F
• Wikidata: Q72460144
• Mol file: 34328-46-6.mol

Synonyms:4-Chloro-3-(trifluoromethyl)benzaldehyde;34328-46-6;4-chloro-3-trifluoromethylbenzaldehyde;4-chloro-3-trifluoromethyl-benzaldehyde;Benzaldehyde, 4-chloro-3-(trifluoromethyl)-;EINECS 251-940-5;MFCD00040722;4-Chloro-3-(trifluoromethyl)benzaldehyde, 97%;4-chloro-3trifluoromethyl-benzaldehyde;SCHEMBL40676;DTXSID50187895;BBL103877;CL8344;STL557687;AKOS005257785;CS-W008104;DS-1376;PS-8032;3-trifluoromethyl-4-chloro-benzaldehyde;AC-27962;SY020691;4-chloranyl-3-(trifluoromethyl)benzaldehyde;AM20040218;C2760;FT-0618051;EN300-67007;A822830;J-019557;J-514988;F0001-1000;Z1065866152

Chemical Property of 4-Chloro-3-(trifluoromethyl)benzaldehyde

Chemical Property:

• Appearance/Colour: COLORLESS LIQUID
• Vapor Pressure: 0.105mmHg at 25°C
• Refractive Index: n20/D 1.504(lit.)
• Boiling Point: 221.8 °C at 760 mmHg
• Flash Point: 87.9 °C
• PSA: 17.07000
• Density: 1.423 g/cm³
• LogP: 3.17130
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Air Sensitive
• XLogP3: 3.6
• 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

4-Chloro-3-(trifluoromethyl)benzaldehyde ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=O)C(F)(F)F)Cl
• Uses: 4-Chloro-3-(trifluoromethyl)benzaldehyde is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.

Technology Process of 4-Chloro-3-(trifluoromethyl)benzaldehyde

There total 4 articles about 4-Chloro-3-(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:

4--1-chloro-2-(trifluoromethyl)benzene (144155-72-6) → 4-chloro-3-(trifluoromethyl)benzaldehyde (34328-46-6)

Guidance literature:

With sulfuryl dichloride; water; silica gel; In chloroform; at 0 ℃; for 2h; Yield given;

DOI:10.1021/jm00097a001

Reference yield:

5-bromo-2-chlorobenzotrifluoride (445-01-2) → 4-chloro-3-(trifluoromethyl)benzaldehyde (34328-46-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Mg / tetrahydrofuran / 5 h / Ambient temperature

2: SiO₂, H₂O, SO₂Cl₂ / CHCl₃ / 2 h / 0 °C

With sulfuryl dichloride; water; silica gel; magnesium; In tetrahydrofuran; chloroform;

DOI:10.1021/jm00097a001

Reference yield:

formaldoxime (75-17-2) + 4-chloro-3-trifluoromethyl-aniline (320-51-4) → 4-chloro-3-(trifluoromethyl)benzaldehyde (34328-46-6)

Guidance literature:

Multistep reaction; (i) NaNO₂, HCl, NaOAc, (ii) /BRN= 1697325/, CuSO₄, Na₂SO₃, (iii) aq. HCl;

DOI:10.1021/jm00291a022

upstream raw materials:

formaldoxime

4-chloro-3-trifluoromethyl-aniline

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

5-bromo-2-chlorobenzotrifluoride

Downstream raw materials:

4-Trifluormethyl-3'-trifluormethyl-4'-chlorbenzophenon

4-chloro-3-trifluoromethylcinnamonitrile

4-chloro-3-trifluoromethyl-cinnamonitrile

Refernces

• 1、 Kesten, Stephen J.,Degnan, Margaret J.,Hung, Jocelyn,McNamara, Dennis J.,Ortwine, Daniel F.,et al.. "Synthesis and Antimalarial Properties of 1-Imino Derivatives of 7-Chloro-3-substituted-3,4-dihydro-1,9(2H,10H)-acridinediones and Related Structures". . p. 3429 - 3447. Retrieved 2007/10/02.