3-Isopropyl-benzonitrile

Base Information

Chemical Name:3-Isopropyl-benzonitrile
CAS No.:40751-59-5
Molecular Formula:C10H11N
Molecular Weight:145.204
Hs Code.:
NSC Number:87351
DSSTox Substance ID:DTXSID50961172
Nikkaji Number:J647.207I
Wikidata:Q82942517
Mol file:40751-59-5.mol

Synonyms:3-(propan-2-yl)benzonitrile;40751-59-5;3-propan-2-ylbenzonitrile;3-isopropyl-benzonitrile;NSC87351;m-isopropylbenzonitrile;NCIOpen2_001032;SCHEMBL104898;DTXSID50961172;LWYFMTMRWRGREZ-UHFFFAOYSA-N;NSC-87351;EN300-140944

Suppliers and Price of 3-Isopropyl-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

Total 4 raw suppliers

Chemical Property of 3-Isopropyl-benzonitrile

Chemical Property:

Vapor Pressure:0.178mmHg at 25°C
Boiling Point:211.9°Cat760mmHg
Flash Point:81.7°C
Density:0.96g/cm³
XLogP3:2.8
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:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-Isopropyl-benzonitrile

There total 14 articles about 3-Isopropyl-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: 100.0%

: 5433-01-2
1-bromo-3-isopropylbenzene

: 544-92-3
copper(I) cyanide

: 40751-59-5
3-isopropyl benzonitrile

Guidance literature:: With pyridine; at 150 ℃; for 13h;

Reference yield: 100.0%

: 53097-35-1
3-(prop-1-en-2-yl)benzonitrile

: 40751-59-5
3-isopropyl benzonitrile

Guidance literature:: With hydrogen; palladium 10% on activated carbon; In ethyl acetate; for 16h;

Reference yield: 98.0%

: 6952-59-6
3-cyanobromobenzene

: 77047-87-1
isopropyl zinc bromide

: 40751-59-5
3-isopropyl benzonitrile

: 151963-09-6
3-propylbenzonitrile

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