3-Methyl-5-(trifluoromethyl)benzonitrile

Base Information

Chemical Name:3-Methyl-5-(trifluoromethyl)benzonitrile
CAS No.:261952-04-9
Molecular Formula:C9H6 F3 N
Molecular Weight:185.149
Hs Code.:2926909090
European Community (EC) Number:642-724-5
DSSTox Substance ID:DTXSID00379602
Wikidata:Q82169480
Mol file:261952-04-9.mol

Synonyms:3-methyl-5-(trifluoromethyl)benzonitrile;261952-04-9;MFCD01631595;SCHEMBL11954934;DTXSID00379602;BBL103978;STL557788;AKOS005254408;CS-W016958;PS-8504;3-methyl-5-trifluoromethyl-benzonitrile;Benzonitrile, 3-methyl-5-(trifluoromethyl)-;FT-0712925;3-Methyl-5-(trifluoromethyl)benzonitrile, 97%;E79061;A818311

Suppliers and Price of 3-Methyl-5-(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
3-Methyl-5-(trifluoromethyl)benzonitrile
500mg
$ 75.00

SynQuest Laboratories
3-Methyl-5-(trifluoromethyl)benzonitrile
1 g
$ 31.00

SynQuest Laboratories
3-Methyl-5-(trifluoromethyl)benzonitrile
5 g
$ 93.00

SynQuest Laboratories
3-Methyl-5-(trifluoromethyl)benzonitrile
10 g
$ 159.00

Matrix Scientific
3-Methyl-5-(trifluoromethyl)benzonitrile
10g
$ 460.00

Matrix Scientific
3-Methyl-5-(trifluoromethyl)benzonitrile
5g
$ 259.00

Crysdot
3-Methyl-5-(trifluoromethyl)benzonitrile 95+%
25g
$ 533.00

Chemenu
3-Methyl-5-(trifluoromethyl)benzonitrile 95%
25g
$ 503.00

Apolloscientific
3-Methyl-5-(trifluoromethyl)benzonitrile 97%
10g
$ 144.00

Apolloscientific
3-Methyl-5-(trifluoromethyl)benzonitrile 97%
5g
$ 85.00

Total 18 raw suppliers

Chemical Property of 3-Methyl-5-(trifluoromethyl)benzonitrile

Chemical Property:

Vapor Pressure:0.158mmHg at 25°C
Refractive Index:1.463
Boiling Point:214.2°Cat760mmHg
Flash Point:83.4°C
PSA：23.79000
Density:1.24g/cm³
LogP:2.88548
Storage Temp.:2-8°C
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:185.04523368
Heavy Atom Count:13
Complexity:225

Purity/Quality:

97% ^*data from raw suppliers

3-Methyl-5-(trifluoromethyl)benzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:T
Statements: 20/21/22-36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=CC(=C1)C(F)(F)F)C#N

Technology Process of 3-Methyl-5-(trifluoromethyl)benzonitrile

There total 3 articles about 3-Methyl-5-(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: 43.0%

: (1,10-phenanthroline)(trifluoromethyl)copper (I)

: 3-(1,1,1,3,5,5,5-heptamethyltrisiloxan-3-yl)-5-methylbenzonitrile

: 261952-04-9
3-methyl-5-(trifluoromethyl)benzonitrile

Guidance literature:: With silver fluoride; p-benzoquinone; In N,N-dimethyl-formamide; at 50 ℃; for 16h; Inert atmosphere; Sealed tube;
DOI:10.1002/anie.201601163

Reference yield:

: 887144-97-0
Togni's reagent

: 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

: 261952-04-9
3-methyl-5-(trifluoromethyl)benzonitrile

Guidance literature:: With 1,10-Phenanthroline; lithium hydroxide monohydrate; copper(II) thiophene-2-carboxylate; In dichloromethane; at 45 ℃; Inert atmosphere;
DOI:10.1002/anie.201106673

Reference yield:

: 620-22-4
3-Methylbenzonitrile

: 261952-04-9
3-methyl-5-(trifluoromethyl)benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 4,4'-di-tert-butyl-2,2'-bipyridine / tetrahydrofuran / 24 h / 80 °C / Inert atmosphere

2: copper(II) thiophene-2-carboxylate; lithium hydroxide monohydrate; 1,10-Phenanthroline / dichloromethane / 45 °C / Inert atmosphere

With 1,10-Phenanthroline; (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; lithium hydroxide monohydrate; copper(II) thiophene-2-carboxylate; 4,4'-di-tert-butyl-2,2'-bipyridine; In tetrahydrofuran; dichloromethane;
DOI:10.1002/anie.201106673