4-Hydroxy-2-(trifluoromethyl)benzonitrile

Base Information

Chemical Name:4-Hydroxy-2-(trifluoromethyl)benzonitrile
CAS No.:320-42-3
Molecular Formula:C8H4F3NO
Molecular Weight:187.121
Hs Code.:2926909090
European Community (EC) Number:642-559-9
DSSTox Substance ID:DTXSID70382466
Wikidata:Q72482035
Mol file:320-42-3.mol

Synonyms:4-hydroxy-2-(trifluoromethyl)benzonitrile;320-42-3;4-Hydroxy-2-(trifluoroemthyl)benzonitrile;MFCD06797340;SCHEMBL1128325;DTXSID70382466;AKOS005257960;AC-4096;AM61897;CS-W016862;FS-2096;4-Hydroxy-2-trifluoromethyl-benzonitrile;4-hydroxy-2-(trifluoromethyl)-benzonitrile;FT-0652493;Benzonitrile, 4-hydroxy-2-(trifluoromethyl)-;A20974;EN300-1615110

Suppliers and Price of 4-Hydroxy-2-(trifluoromethyl)benzonitrile

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
4-Hydroxy-2-(trifluoromethyl)benzonitrile
2.5g
$ 330.00

TRC
4-Hydroxy-2-(trifluoromethyl)benzonitrile
1g
$ 165.00

SynQuest Laboratories
4-Hydroxy-2-(trifluoromethyl)benzonitrile
1 g
$ 157.00

SynQuest Laboratories
4-Hydroxy-2-(trifluoromethyl)benzonitrile
250 mg
$ 45.00

SynQuest Laboratories
4-Hydroxy-2-(trifluoromethyl)benzonitrile
5 g
$ 472.00

Crysdot
4-Hydroxy-2-(trifluoromethyl)benzonitrile 98%
5g
$ 342.00

Crysdot
4-Hydroxy-2-(trifluoromethyl)benzonitrile 98%
1g
$ 90.00

ChemScene
4-Hydroxy-2-(trifluoromethyl)benzonitrile ≥98.0%
5g
$ 198.00

ChemScene
4-Hydroxy-2-(trifluoromethyl)benzonitrile ≥98.0%
1g
$ 62.00

ChemScene
4-Hydroxy-2-(trifluoromethyl)benzonitrile ≥98.0%
10g
$ 337.00

Total 36 raw suppliers

Chemical Property of 4-Hydroxy-2-(trifluoromethyl)benzonitrile

Chemical Property:

Vapor Pressure:0.00074mmHg at 25°C
Melting Point:120-124℃
Refractive Index:1.495
Boiling Point:297.9 °C at 760 mmHg
PKA:6.84±0.18(Predicted)
Flash Point:134 °C
PSA：44.02000
Density:1.44 g/cm³
LogP:2.28268
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:0
Exact Mass:187.02449824
Heavy Atom Count:13
Complexity:229

Purity/Quality:

97% ^*data from raw suppliers

4-Hydroxy-2-(trifluoromethyl)benzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1O)C(F)(F)F)C#N

Technology Process of 4-Hydroxy-2-(trifluoromethyl)benzonitrile

There total 7 articles about 4-Hydroxy-2-(trifluoromethyl)benzonitrile 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: 52.0%

: 320-41-2
4-chloro-2-(trifluoromethyl)benzonitrile

: 320-42-3
4-hydroxy-2-(trifluoromethyl)benzonitrile

Guidance literature:: With formic acid; oxygen; triethylamine; copper(ll) bromide; In acetonitrile; at 20 ℃; for 48h; Irradiation;
DOI:10.1021/acs.orglett.7b03840

Reference yield:

: 4-[(1R,2S)-2-cyanocyclohexyloxy]-2-(trifluoromethyl)benzonitrile

: 320-42-3
4-hydroxy-2-(trifluoromethyl)benzonitrile

: 1855-63-6
cyclohex-1-enecarbonitrile

Guidance literature:: With lithium hydroxide; In N,N-dimethyl-formamide; at 20 ℃; for 48h;
DOI:10.1021/op700146c

Reference yield:

: 194853-86-6
4-fluoro-2-(trifluoromethyl)benzonitrile

: 320-42-3
4-hydroxy-2-(trifluoromethyl)benzonitrile

: 1855-63-6
cyclohex-1-enecarbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: lithium hydride / N,N-dimethyl-formamide

2: lithium hydroxide / N,N-dimethyl-formamide / 48 h / 20 °C

With lithium hydride; lithium hydroxide; In N,N-dimethyl-formamide;
DOI:10.1021/op700146c