3-Chloro-5-fluorophenylacetonitrile

Base Information

Chemical Name:3-Chloro-5-fluorophenylacetonitrile
CAS No.:493038-93-0
Molecular Formula:C8H5ClFN
Molecular Weight:169.586
Hs Code.:2926909090
European Community (EC) Number:633-356-6
DSSTox Substance ID:DTXSID30370526
Wikidata:Q72451094
Mol file:493038-93-0.mol

Synonyms:493038-93-0;3-Chloro-5-fluorophenylacetonitrile;2-(3-chloro-5-fluorophenyl)acetonitrile;3-chloro-5-fluorobenzyl cyanide;2-(3-chloro-5-fluoro-phenyl)acetonitrile;(3-chloro-5-fluorophenyl)acetonitrile;MFCD04038259;3-chloro-5-fluorophenyl acetonitrile;3-chloro-5-fluorobenzylcyanide;SCHEMBL1072135;DTXSID30370526;BBL102066;CL8773;STL555865;AKOS006229394;AC-9782;CS-W017713;PS-8714;A7373;C3330;FT-0659714

Suppliers and Price of 3-Chloro-5-fluorophenylacetonitrile

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-Chloro-5-fluorophenylacetonitrile
50mg
$ 60.00

TCI Chemical
3-Chloro-5-fluorobenzyl Cyanide >98.0%(GC)
1g
$ 63.00

TCI Chemical
3-Chloro-5-fluorobenzyl Cyanide >98.0%(GC)
5g
$ 247.00

SynQuest Laboratories
3-Chloro-5-fluorophenylacetonitrile
5 g
$ 208.00

SynQuest Laboratories
3-Chloro-5-fluorophenylacetonitrile
1 g
$ 63.00

Matrix Scientific
3-Chloro-5-fluorophenylacetonitrile
1g
$ 93.00

Matrix Scientific
3-Chloro-5-fluorophenylacetonitrile
5g
$ 365.00

Crysdot
2-(3-Chloro-5-fluorophenyl)acetonitrile 97%
1g
$ 114.00

Biosynth Carbosynth
2-(3-chloro-5-fluorophenyl)acetonitrile
250 g
$ 1900.00

Biosynth Carbosynth
2-(3-chloro-5-fluorophenyl)acetonitrile
100 g
$ 1600.00

Total 41 raw suppliers

Chemical Property of 3-Chloro-5-fluorophenylacetonitrile

Chemical Property:

Appearance/Colour:clear yellow liquid
Vapor Pressure:0.0299mmHg at 25°C
Refractive Index:1.523-1.525
Boiling Point:244.7 °C at 760 mmHg
Flash Point:101.8 °C
PSA：23.79000
Density:1.286 g/cm³
LogP:2.54518
Storage Temp.:Sealed in dry,Room Temperature
Water Solubility.:Not miscible or difficult to mix with water.
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:169.0094550
Heavy Atom Count:11
Complexity:174

Purity/Quality:

98% ^*data from raw suppliers

3-Chloro-5-fluorophenylacetonitrile ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=C(C=C(C=C1F)Cl)CC#N
Uses It is employed as a intermediates for pharmaceutical.

Technology Process of 3-Chloro-5-fluorophenylacetonitrile

There total 1 articles about 3-Chloro-5-fluorophenylacetonitrile 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: 100.0%

: 773837-37-9
sodium cyanide

: 493024-39-8
1-(bromomethyl)-3-chloro-5-fluorobenzene

: 493038-93-0
(3-chloro-5-fluorophenyl)acetonitrile

Guidance literature:: With benzyltri(n-butyl)ammonium chloride; acetic acid; In water; toluene; at 20 ℃; for 4h;

Reference yield:

: 493038-93-0
(3-chloro-5-fluorophenyl)acetonitrile

: 1318756-38-5
3-chloro-N-[2-(3-chloro-5-fluorobenzyl)-4-methyl-1,3-thiazol-5-yl]-1-methyl-1H-pyrazole-5-carboxamide

Guidance literature:: Multi-step reaction with 5 steps

1.1: hydrogenchloride; O,O-Diethyl hydrogen phosphorodithioate / ethyl acetate / 20 °C

2.1: pyridine / ethanol / 72 h / 20 °C

3.1: sodium hydroxide; water / ethanol / 3 h

4.1: triethylamine; diphenyl phosphoryl azide / 2.5 h / 90 °C

5.1: hydrogenchloride / ethanol; water / 1 h / 20 °C

5.3: 3 h / 60 °C

With pyridine; hydrogenchloride; diphenyl phosphoryl azide; water; O,O-Diethyl hydrogen phosphorodithioate; triethylamine; sodium hydroxide; In ethanol; water; ethyl acetate;

Reference yield:

: 493038-93-0
(3-chloro-5-fluorophenyl)acetonitrile

: 1318756-32-9
N-(2-(3-chloro-5-fluorobenzyl)-4-methyl-1,3-thiazol-5-yl]-1-methyl-1H-pyrazole-5-carboxamide

Guidance literature:: Multi-step reaction with 5 steps

1.1: hydrogenchloride; O,O-Diethyl hydrogen phosphorodithioate / ethyl acetate / 20 °C

2.1: pyridine / ethanol / 72 h / 20 °C

3.1: sodium hydroxide; water / ethanol / 3 h

4.1: triethylamine; diphenyl phosphoryl azide / 2.5 h / 90 °C

5.1: hydrogenchloride / ethanol; water / 0 - 50 °C

5.2: 0 °C / pH 10 - 11

5.3: 0 - 60 °C

With pyridine; hydrogenchloride; diphenyl phosphoryl azide; water; O,O-Diethyl hydrogen phosphorodithioate; triethylamine; sodium hydroxide; In ethanol; water; ethyl acetate;