3,4,5-Trifluorobenzaldehyde

Base Information

• Chemical Name: 3,4,5-Trifluorobenzaldehyde
• CAS No.: 132123-54-7
• Molecular Formula: C₇H₃F₃O
• Molecular Weight: 160.095
• Hs Code.: 29130000
• DSSTox Substance ID: DTXSID90380308
• Nikkaji Number: J1.568.821A
• Wikidata: Q72510840
• Mol file: 132123-54-7.mol

Synonyms:3,4,5-Trifluorobenzaldehyde;132123-54-7;Benzaldehyde, 3,4,5-trifluoro-;MFCD00083523;3,4,5-Trifluoro-benzaldehyde;3,4,5-triflourobenzaldehyde;SCHEMBL48658;DTXSID90380308;NLAVHUUABUFSIG-UHFFFAOYSA-N;3,4,5-Trifluorobenzaldehyde, 97%;BBL028174;CL8293;STL374068;AKOS004911140;AC-3862;AM61321;CS-W017942;PS-10189;SY022934;FT-0614136;T2321;EN300-67516;J-006126;Z1080487078

Chemical Property of 3,4,5-Trifluorobenzaldehyde

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow liquid
• Vapor Pressure: 0.023mmHg at 25°C
• Melting Point: 25.3 °C
• Refractive Index: n20/D 1.482(lit.)
• Boiling Point: 180.2 °C at 760 mmHg
• Flash Point: 52 °C
• PSA: 17.07000
• Density: 1.407 g/cm³
• LogP: 1.91640
• Storage Temp.: Refrigerator (+4°C)
• Sensitive.: Air Sensitive
• Solubility.: 2.2g/l
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 160.01359920
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

98% ^*data from raw suppliers

3,4,5-Trifluorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xi
• Hazard Codes: T,Xi
• Statements: 61-36/37/38-51/53-43-22-25
• Safety Statements: 53-26-36-45-57-36/37/39-29-59

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)F)F)C=O
• Uses: 3,4,5-Trifluorobenzaldehyde may be used in the synthesis of 3,4,5-tris(methylthio)benzaldehyde.

Technology Process of 3,4,5-Trifluorobenzaldehyde

There total 2 articles about 3,4,5-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:

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 3,4,5-trifluoro-1-bromobenzene (138526-69-9) → 3,4,5-trifluorobenzaldehyde (132123-54-7)

Guidance literature:

3,4,5-trifluoro-1-bromobenzene; With iodine; magnesium; In tetrahydrofuran; at 20 ℃; for 2h; Inert atmosphere;

N,N-dimethyl-formamide; In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere;

DOI:10.1080/15421406.2010.504638

Reference yield:

orthoformic acid triethyl ester (122-51-0) + 3,4,5-trifluoro-1-bromobenzene (138526-69-9) → 3,4,5-trifluorobenzaldehyde (132123-54-7)

Guidance literature:

3,4,5-trifluoro-1-bromobenzene; With n-butyllithium; In diethyl ether; at -78 ℃; for 0.5h;

orthoformic acid triethyl ester; In diethyl ether; at -78 - 20 ℃;

Reference yield: 97.0%

4-hydroxy-2-trifluoromethylpyridine (170886-13-2) + 3,4,5-trifluorobenzaldehyde (132123-54-7) → 3,5-difluoro-4-((2-(trifluoromethyl)pyridin-4-yl)oxy)benzaldehyde (1620579-54-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 16h; Temperature; Time; Inert atmosphere;

upstream raw materials:

orthoformic acid triethyl ester

3,4,5-trifluoro-1-bromobenzene

N,N-dimethyl-formamide

Downstream raw materials:

(E)-3-(3,4,5-trifluorophenyl)acrylaldehyde

1,2,3-Trifluoro-5-((1E,3E)-4-phenyl-buta-1,3-dienyl)-benzene

9-(3,4,5-trifluorophenyl)-6,9-dihydro[1,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one

(E)‐3‐(3,4,5‐trifluorophenyl)acrylic acid

Refernces

• 1、 -. "PROCESS FOR PREPARING SUBSTITUTED 2-NITROBIPHENYLS". Page/Page column 41-42. . Retrieved 2010/10/03.