Acetyl(2-chloro-6-fluorophenyl)acetonitrile

Base Information

Chemical Name:Acetyl(2-chloro-6-fluorophenyl)acetonitrile
CAS No.:93839-17-9
Molecular Formula:C₁₀H₇ClFNO
Molecular Weight:211.623
Hs Code.:
European Community (EC) Number:298-787-0
DSSTox Substance ID:DTXSID60917665
Nikkaji Number:J317.599E
Mol file:93839-17-9.mol

Synonyms:2-(2-chloro-6-fluorophenyl)-3-oxobutanenitrile;93839-17-9;Acetyl(2-chloro-6-fluorophenyl)acetonitrile;EINECS 298-787-0;C10H7ClFNO;alpha-Acetyl-2-chloro-6-fluorobenzeneacetonitrile;C10-H7-Cl-F-N-O;SCHEMBL22055505;DTXSID60917665;DARQRNNQPWWWJT-UHFFFAOYSA-N;AKOS009354626;CS-0257359;EN300-67074;Z385375714

Suppliers and Price of Acetyl(2-chloro-6-fluorophenyl)acetonitrile

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
2-(2-chloro-6-fluorophenyl)-3-oxobutanenitrile
50mg
$ 65.00

American Custom Chemicals Corporation
2-(2-CHLORO-6-FLUOROPHENYL)-3-OXOBUTANENITRILE 95.00%
5G
$ 1421.65

American Custom Chemicals Corporation
2-(2-CHLORO-6-FLUOROPHENYL)-3-OXOBUTANENITRILE 95.00%
2.5G
$ 1147.43

American Custom Chemicals Corporation
2-(2-CHLORO-6-FLUOROPHENYL)-3-OXOBUTANENITRILE 95.00%
1G
$ 808.89

Total 4 raw suppliers

Chemical Property of Acetyl(2-chloro-6-fluorophenyl)acetonitrile

Chemical Property:

Vapor Pressure:0.0141mmHg at 25°C
Boiling Point:258°Cat760mmHg
Flash Point:109.8°C
PSA：40.86000
Density:1.3g/cm³
LogP:2.67528
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:211.0200197
Heavy Atom Count:14
Complexity:273

Purity/Quality:

99%+ ^*data from raw suppliers

2-(2-chloro-6-fluorophenyl)-3-oxobutanenitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C(C#N)C1=C(C=CC=C1Cl)F

Technology Process of Acetyl(2-chloro-6-fluorophenyl)acetonitrile

There total 1 articles about Acetyl(2-chloro-6-fluorophenyl)acetonitrile 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: 88.0%

: 141-78-6
ethyl acetate

: 75279-55-9
6-chloro-2-fluorophenylacetonitrile

: 93839-17-9
α-acetyl-2-chloro-6-fluorobenzeneacetonitrile

Guidance literature:: With sodium ethanolate; at 85 ℃; for 5h;

Reference yield:

: 93839-17-9
α-acetyl-2-chloro-6-fluorobenzeneacetonitrile

: 302-15-8
methylhydrazine sulfuric acid

: 4-(2-chloro-6-fluorophenyl)-1,3-dimethyl-1H-pyrazol-5-amine

Guidance literature:: With sodium acetate; In ethanol; at 85 ℃; for 12h;

Reference yield:

: 93839-17-9
α-acetyl-2-chloro-6-fluorobenzeneacetonitrile

: 5-bromo-4-(2-chloro-6-fluorophenyl)-1,3-dimethyl-1H-pyrazole

Guidance literature:: Multi-step reaction with 2 steps

1: sodium acetate / ethanol / 12 h / 85 °C

2: copper(I) bromide; tert.-butylnitrite / acetonitrile / 2.17 h / 0 - 20 °C

With tert.-butylnitrite; sodium acetate; copper(I) bromide; In ethanol; acetonitrile;