3,5-Dimethyl-4-nitrobenzonitrile

Base Information

Chemical Name:3,5-Dimethyl-4-nitrobenzonitrile
CAS No.:101552-39-0
Molecular Formula:C9H8N2O2
Molecular Weight:176.175
Hs Code.:2926909090
DSSTox Substance ID:DTXSID00553566
Nikkaji Number:J1.102.016J
Wikidata:Q82434177
Mol file:101552-39-0.mol

Synonyms:3,5-Dimethyl-4-nitrobenzonitrile;101552-39-0;DTXSID00553566

Suppliers and Price of 3,5-Dimethyl-4-nitrobenzonitrile

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

Alichem
3,5-Dimethyl-4-nitrobenzonitrile
1g
$ 1519.80

Alichem
3,5-Dimethyl-4-nitrobenzonitrile
500mg
$ 782.40

Alichem
3,5-Dimethyl-4-nitrobenzonitrile
250mg
$ 494.40

Total 2 raw suppliers

Chemical Property of 3,5-Dimethyl-4-nitrobenzonitrile

Chemical Property:

Melting Point:167-168.5 °C(Solv: ethanol (64-17-5))
Boiling Point:336.8±30.0 °C(Predicted)
PSA：69.61000
Density:1.22±0.1 g/cm3(Predicted)
LogP:2.60648
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:176.058577502
Heavy Atom Count:13
Complexity:238

Purity/Quality:

95% ^*data from raw suppliers

3,5-Dimethyl-4-nitrobenzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=CC(=C1[N+](=O)[O-])C)C#N

Technology Process of 3,5-Dimethyl-4-nitrobenzonitrile

There total 2 articles about 3,5-Dimethyl-4-nitrobenzonitrile 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: 60.0%

: 114650-61-2
C₁₄H₁₃N₃O₂S

: 81-20-9
2,6-dimethylnitrobenzene

: 101552-39-0
3,5-dimethyl-4-nitrobenzonitrile

: 114660-02-5
3,5-dimethyl-4-nitrophenyl phenyl sulfide

Guidance literature:: With tetra-n-butylammonium cyanide; In dimethyl sulfoxide; for 1h; Ambient temperature; Irradiation;
DOI:10.1016/S0040-4020(01)86905-2