4-Chloro-3-iodobenzonitrile

Base Information

Chemical Name:4-Chloro-3-iodobenzonitrile
CAS No.:914106-26-6
Molecular Formula:C7H3 Cl I N
Molecular Weight:263.465
Hs Code.:2926909090
European Community (EC) Number:820-457-7
DSSTox Substance ID:DTXSID80586559
Wikidata:Q82478704
Mol file:914106-26-6.mol

Synonyms:4-chloro-3-iodobenzonitrile;914106-26-6;4-chloro-3-iodo-benzonitrile;SCHEMBL1799544;Benzonitrile, 4-chloro-3-iodo-;DTXSID80586559;MFCD09025674;AKOS015850062;DS-6449;4-Chloro-3-iodobenzonitrile, AldrichCPR;AM20041399;CS-0041322;A843858

Suppliers and Price of 4-Chloro-3-iodobenzonitrile

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

SynQuest Laboratories
4-Chloro-3-iodobenzonitrile 98%
1 g
$ 90.00

SynQuest Laboratories
4-Chloro-3-iodobenzonitrile 98%
250 mg
$ 44.00

Matrix Scientific
4-Chloro-3-iodobenzonitrile 98%
5g
$ 170.00

Matrix Scientific
4-Chloro-3-iodobenzonitrile 98%
1g
$ 55.00

Crysdot
4-Chloro-3-iodobenzonitrile 97%
25g
$ 594.00

Crysdot
4-Chloro-3-iodobenzonitrile 97%
10g
$ 297.00

ChemScene
4-Chloro-3-iodobenzonitrile 99.81%
1g
$ 22.00

ChemScene
4-Chloro-3-iodobenzonitrile 99.81%
5g
$ 105.00

Chemenu
4-Chloro-3-iodobenzonitrile 95+%
25g
$ 561.00

Chemenu
4-Chloro-3-iodobenzonitrile 95+%
10g
$ 281.00

Total 18 raw suppliers

Chemical Property of 4-Chloro-3-iodobenzonitrile

Chemical Property:

Melting Point:91-93 °C
Boiling Point:289.9±25.0 °C(Predicted)
PSA：23.79000
Density:2.01±0.1 g/cm3(Predicted)
LogP:2.81628
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:262.89987
Heavy Atom Count:10
Complexity:162

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-3-iodobenzonitrile 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 36
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1C#N)I)Cl
Uses 4-Chloro-3-Iodobenzonitrile is used in the preparation of 3,5-diphenylisoxazoles as antimicrobials

Technology Process of 4-Chloro-3-iodobenzonitrile

There total 2 articles about 4-Chloro-3-iodobenzonitrile 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: 91.0%

: 914106-25-5
4-chloro-3-iodobenzaldoxime

: 914106-26-6
4-chloro-3-iodobenzonitrile

Guidance literature:: With acetic anhydride; for 4h; Heating;
DOI:10.1021/jm0612867

Reference yield:

: 276866-90-1
4-chloro-3-iodobenzaldehyde

: 914106-26-6
4-chloro-3-iodobenzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 76 percent / hydroxylamine hydrochloride; pyridine / ethanol

2: 91 percent / Ac₂O / 4 h / Heating

With pyridine; hydroxylamine hydrochloride; acetic anhydride; In ethanol;
DOI:10.1021/jm0612867

Reference yield: 88.0%

: 914106-26-6
4-chloro-3-iodobenzonitrile

: 1066-54-2
trimethylsilylacetylene

: 914106-29-9
4-chloro-4-[2-(trimethylsilyl)ethynyl]benzonitrile

Guidance literature:: With triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; at 60 ℃; for 3h;
DOI:10.1021/jm0612867