3,4,5-Trifluorophenylacetic acid

Base Information

Chemical Name:3,4,5-Trifluorophenylacetic acid
CAS No.:209991-62-8
Molecular Formula:C8H5F3O2
Molecular Weight:190.122
Hs Code.:2916399090
European Community (EC) Number:671-568-0
DSSTox Substance ID:DTXSID70380725
Nikkaji Number:J2.254.896D
Wikidata:Q72513206
Mol file:209991-62-8.mol

Synonyms:3,4,5-Trifluorophenylacetic acid;209991-62-8;2-(3,4,5-trifluorophenyl)acetic Acid;3,4,5-Trifluorophenylaceticacid;Benzeneacetic acid, 3,4,5-trifluoro-;(3,4,5-trifluorophenyl)acetic acid;MFCD00083532;3,4,5-(trifluorophenyl)acetic acid;SCHEMBL908287;DTXSID70380725;PQGPUBAARWWOOP-UHFFFAOYSA-N;3,4,5-Trifluorobenzeneacetic acid;3,4,5-trifluorobenzene acetic acid;AKOS005258487;AM62270;CS-W015910;AC-23891;PS-10101;3,4,5-TRIFLUOROBENZOIC ACETIC ACID;FT-0614149;A24090;(3,4,5-Trifluorophenyl)acetic acid, AldrichCPR;EN300-1138814

Suppliers and Price of 3,4,5-Trifluorophenylacetic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3,4,5-TrifluorophenylaceticAcid
1g
$ 90.00

TRC
3,4,5-TrifluorophenylaceticAcid
250mg
$ 40.00

SynQuest Laboratories
3,4,5-Trifluorophenylacetic acid 97%
1 g
$ 23.00

SynQuest Laboratories
3,4,5-Trifluorophenylacetic acid 97%
5 g
$ 80.00

Matrix Scientific
3,4,5-Trifluorophenylacetic acid 97%
5g
$ 97.00

Matrix Scientific
3,4,5-Trifluorophenylacetic acid 97%
1g
$ 19.00

Crysdot
3,4,5-Trifluorophenylaceticacid 97%
100g
$ 903.00

Chemenu
3,4,5-Trifluorophenylaceticacid 95+%
100g
$ 853.00

Apolloscientific
3,4,5-Trifluorophenylaceticacid 97%
1g
$ 14.00

Apolloscientific
3,4,5-Trifluorophenylaceticacid 97%
5g
$ 50.00

Total 47 raw suppliers

Chemical Property of 3,4,5-Trifluorophenylacetic acid

Chemical Property:

Vapor Pressure:0.00885mmHg at 25°C
Melting Point:98-101℃
Refractive Index:1.488
Boiling Point:254.6 °C at 760 mmHg
PKA:3.86±0.10(Predicted)
Flash Point:107.8 °C
PSA：37.30000
Density:1.468 g/cm³
LogP:1.73100
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:190.02416388
Heavy Atom Count:13
Complexity:186

Purity/Quality:

97% ^*data from raw suppliers

3,4,5-TrifluorophenylaceticAcid ^*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

Useful:

Canonical SMILES:C1=C(C=C(C(=C1F)F)F)CC(=O)O
Uses 3,4,5-Trifluorophenylacetic Acid is used in preparation of Pteridinone compounds for the treatment of cellular proliferative disorders.

Technology Process of 3,4,5-Trifluorophenylacetic acid

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

: 1-(2,2,2-trichloroethyl)-3,4,5-trifluorobenzene

: 209991-62-8
2-(3,4,5-trifluorophenyl)acetic acid

Guidance literature:: With sulfuric acid; In water; toluene; at 90 - 100 ℃; for 8h; Inert atmosphere;

Reference yield:

: 238743-47-0
ethyl 2-(3,4,5-trifluorophenyl)acetate

: 209991-62-8
2-(3,4,5-trifluorophenyl)acetic acid

Guidance literature:: ethyl 2-(3,4,5-trifluorophenyl)acetate; With sodium hydroxide; water; for 3h; Heating / reflux;

With hydrogenchloride; In water;

Reference yield: 68.0%

: 209991-62-8
2-(3,4,5-trifluorophenyl)acetic acid

: 109-70-6
1.3-chlorobromopropane

: 949166-97-6
5-chloro-2-(3,4,5-trifluorophenyl)pentanoic acid

Guidance literature:: 2-(3,4,5-trifluorophenyl)acetic acid; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Cooling with ice;

1.3-chlorobromopropane; In tetrahydrofuran; hexane; at 20 ℃; for 16h;