3-Iodobenzoylacetonitrile

Base Information

Chemical Name:3-Iodobenzoylacetonitrile
CAS No.:247206-80-0
Molecular Formula:C9H6 I N O
Molecular Weight:271.05
Hs Code.:
ChEMBL ID:CHEMBL390542
DSSTox Substance ID:DTXSID10469624
Wikidata:Q82297428
Mol file:247206-80-0.mol

Synonyms:3-IODOBENZOYLACETONITRILE;247206-80-0;3-(3-iodophenyl)-3-oxopropanenitrile;2-(3-Iodobenzoyl)acetonitrile;MFCD04114350;2-(3-iodobenzoyl)-acetonitrile;beta-ketonitrile 5a;3-(3-iodophenyl)-3-oxo-propanenitrile;Benzenepropanenitrile, 3-iodo-beta-oxo-;CHEMBL390542;SCHEMBL3658196;BDBM16184;2-(3-iodobenzoyl)- acetonitrile;DTXSID10469624;RFIKLEHQZPGRIM-UHFFFAOYSA-N;FD6032;AKOS009254708;AB18114;SY041782;Benzenepropanenitrile, 3-iodo-.beta.-oxo-;A5066;CS-0318258;FT-0604204;2-Cyano-3 inverted exclamation mark -iodoacetophenone

Suppliers and Price of 3-Iodobenzoylacetonitrile

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-Iodobenzoylacetonitrile
100mg
$ 115.00

J&W Pharmlab
3-Iodobenzoylacetonitrile 96%
5g
$ 1998.00

J&W Pharmlab
3-Iodobenzoylacetonitrile 96%
1g
$ 598.00

J&W Pharmlab
3-Iodobenzoylacetonitrile 96%
500mg
$ 349.00

Crysdot
3-(3-Iodophenyl)-3-oxopropanenitrile 95+%
5g
$ 731.00

AK Scientific
3-Iodobenzoylacetonitrile
5g
$ 1055.00

Acrotein
2-(3-Iodobenzoyl)acetonitrile 97%
1g
$ 219.27

Total 15 raw suppliers

Chemical Property of 3-Iodobenzoylacetonitrile

Chemical Property:

Vapor Pressure:2.51E-06mmHg at 25°C
Refractive Index:1.62
Boiling Point:391.2°C at 760 mmHg
Flash Point:190.4°C
PSA：40.86000
Density:1.772g/cm³
LogP:2.38758
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:270.94941
Heavy Atom Count:12
Complexity:218

Purity/Quality:

97% ^*data from raw suppliers

3-Iodobenzoylacetonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 3-Iodobenzoylacetonitrile

There total 4 articles about 3-Iodobenzoylacetonitrile 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:

: 51934-41-9
4-iodobenzoic acid ethyl ester

: 75-05-8,26809-02-9
acetonitrile

: 247206-80-0
2-(3-iodobenzoyl)acetonitrile

Guidance literature:: With n-butyllithium; diisopropylamine; In tetrahydrofuran;

Reference yield:

: 58313-23-8
3-iodobenzoic acid methyl ester

: 75-05-8,26809-02-9
acetonitrile

: 247206-80-0
2-(3-iodobenzoyl)acetonitrile

Guidance literature:: acetonitrile; With lithium diisopropyl amide; In tetrahydrofuran; hexane;

3-iodobenzoic acid methyl ester; In tetrahydrofuran; hexane; at -50 ℃; for 3h;
DOI:10.1021/jm050736c

Reference yield:

: 1711-10-0
3-iodobenzoyl chloride

: 372-09-8
cyanoacetic acid

: 247206-80-0
2-(3-iodobenzoyl)acetonitrile

Guidance literature:: cyanoacetic acid; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.25h;

3-iodobenzoyl chloride; In tetrahydrofuran; at -78 - 20 ℃; for 2h; Further stages.;
DOI:10.1021/jm0613121