2-Isopropylbenzonitrile

Base Information

Chemical Name:2-Isopropylbenzonitrile
CAS No.:40751-52-8
Molecular Formula:C10H11N
Molecular Weight:145.204
Hs Code.:
DSSTox Substance ID:DTXSID30448294
Nikkaji Number:J647.208G
Wikidata:Q82267270
Mol file:40751-52-8.mol

Synonyms:2-isopropylbenzonitrile;2-propan-2-ylbenzonitrile;40751-52-8;isopropylbenzonitrile;SCHEMBL254017;DTXSID30448294;LRKBACPCJTXJNF-UHFFFAOYSA-N

Suppliers and Price of 2-Isopropylbenzonitrile

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of 2-Isopropylbenzonitrile

Chemical Property:

Boiling Point:105-107 °C(Press: 16 Torr)
PSA：23.79000
Density:0.96±0.1 g/cm3(Predicted)
LogP:2.68168
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:145.089149355
Heavy Atom Count:11
Complexity:163

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)C1=CC=CC=C1C#N

Technology Process of 2-Isopropylbenzonitrile

There total 18 articles about 2-Isopropylbenzonitrile 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%

: 19099-54-8
2-isopropyliodobenzene

: 13435-20-6
tetraethylammoniumcyanide

: 544-92-3
copper(I) cyanide

: 40751-52-8
2-Isopropyl-1-benzonitrile

Guidance literature:: 1,1'-bis-(diphenylphosphino)ferrocene; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In tetrahydrofuran; for 1.5h; Heating / reflux;

Reference yield: 99.0%

: 2042-37-7
o-cyanobromobenzene

: 77047-87-1
isopropyl zinc bromide

: 40751-52-8
2-Isopropyl-1-benzonitrile

Guidance literature:: With [1,3-bis(2,6-diisoheptylphenyl)-4,5-dichloroimidazol-2-ylidene](3-chloropyridyl)palladium(II) dichloride; In tetrahydrofuran; toluene; at 0 - 23 ℃; Reagent/catalyst; Inert atmosphere; Schlenk technique;
DOI:10.1002/chem.201603603