2,3,5-Trifluorobenzaldehyde

Base Information

• Chemical Name: 2,3,5-Trifluorobenzaldehyde
• CAS No.: 126202-23-1
• Molecular Formula: C7H3F3O
• Molecular Weight: 160.095
• Hs Code.: 29130000
• European Community (EC) Number: 623-359-0
• DSSTox Substance ID: DTXSID70380306
• Nikkaji Number: J1.839.279H
• Wikidata: Q72515679
• Mol file: 126202-23-1.mol

Synonyms:2,3,5-Trifluorobenzaldehyde;126202-23-1;2,3,5-Ttrifluorobenzaldehyde;Benzaldehyde, 2,3,5-trifluoro-;Benzaldehyde, 2,3,5-trifluoro- (9CI);2,3,5-triflorobenzaldehyde;2,3,5 Trifluorobenzaldehyde;SCHEMBL585592;DTXSID70380306;RQUNVQGCKIBORD-UHFFFAOYSA-N;2,3,5-Trifluorobenzaldehyde, 97%;MFCD00083538;AKOS005258392;AC-3858;AM61752;CS-W010881;DS-18169;FT-0609450;A21296;EN300-379696;J-005344;Z1203162165

Chemical Property of 2,3,5-Trifluorobenzaldehyde

Chemical Property:

• Appearance/Colour: Light yellow powder
• Vapor Pressure: 39.6mmHg at 25°C
• Refractive Index: n20/D 1.478(lit.)
• Boiling Point: 170.7 °C at 760 mmHg
• Flash Point: 48.7 °C
• PSA: 17.07000
• Density: 1.407 g/cm³
• LogP: 1.91640
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Air Sensitive
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 160.01359920
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,3,5-Trifluorobenzaldehyde ^*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=C(C=C(C(=C1C=O)F)F)F

Technology Process of 2,3,5-Trifluorobenzaldehyde

There total 1 articles about 2,3,5-Trifluorobenzaldehyde 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: 42.0%

triethylsilane (617-86-7) + 2,3,4,5-tetrafluorobenzaldehyde (16583-06-5) → triethylsilyl fluoride (358-43-0) + 2,3,5-trifluorobenzaldehyde (126202-23-1)

Guidance literature:

With dmap; (1,3-bis(2,4,6-trimethylphenyl)imidazolin-2-ylidene)AuH; In dichloromethane; at 40 ℃; for 12h; Inert atmosphere;

DOI:10.1021/ja305204y

Reference yield: 95.0%

2,3,5-trifluorobenzaldehyde (126202-23-1) → 2,3,5-trifluoro-benzaldehyde oxime (1217485-79-4)

Guidance literature:

2,3,5-trifluorobenzaldehyde; With hydroxylamine hydrochloride; sodium hydroxide; In ethanol; water; at 20 ℃; Cooling with ice;

With acetic acid; In ethanol; water; pH=6;

Reference yield: 86.0%

(S)-2-methylpropane-2-sulfinamide (343338-28-3) + 2,3,5-trifluorobenzaldehyde (126202-23-1) → (S,E)-2-methyl-N-(2,3,5-trifluorobenzylidene)propane-2-sulfinamide

Guidance literature:

With titanium(IV) tetraethanolate; In tetrahydrofuran; at 20 ℃; for 10h;

DOI:10.1016/j.bmc.2020.115903

upstream raw materials:

triethylsilane

2,3,4,5-tetrafluorobenzaldehyde

Downstream raw materials:

(R)-benzoin

Refernces