2-(3-Benzoylphenyl)propionitrile

Base Information Edit

Chemical Name:2-(3-Benzoylphenyl)propionitrile
CAS No.:42872-30-0
Molecular Formula:C16H13NO
Molecular Weight:235.285
Hs Code.:29269090
European Community (EC) Number:255-982-5
UNII:T1XT2245YV
DSSTox Substance ID:DTXSID20962752
Nikkaji Number:J236.503K
Wikidata:Q27289555
Mol file:42872-30-0.mol

Synonyms:2-(3-Benzoylphenyl)propionitrile;42872-30-0;2-(3-Benzoylphenyl)propanenitrile;2-(m-Benzoylphenyl)propionitrile;24336 R.P.;EINECS 255-982-5;BENZENEACETONITRILE, 3-BENZOYL-alpha-METHYL-;BRN 2844731;UNII-T1XT2245YV;3-Benzoyl-alpha-methylbenzeneacetonitrile;3-(1-Cyanoethyl)benzophenone;T1XT2245YV;MFCD00044435;(2RS)-2-(3-Benzoylphenyl)propanenitrile;Benzeneacetonitrile, 3-benzoyl-.alpha.-methyl-;EC 255-982-5;Ketprofen nitrile;Ketoprofen Nitrile;SCHEMBL687542;2-(3-Benzoylphenyl)propanitrile;RGYOCHMZSLUCNP-UHFFFAOYSA-;DTXSID20962752;alpha-(m-benzoylphenyl)propionitrile;AMY11415;2-(3-Benzoylphenyl)propanenitrile #;2-[3-(benzoyl)phenyl]propanenitrile;alpha-(m-benzoylphenyl)-propionitrile;3-Benzoyl-?-methylbenzeneacetonitrile;AKOS015895867;CS-T-05276;3-Benzoyl-alpha-methylphenylacetonitrile;2-(3-Benzoylphenyl)propionitrile, 95%;AC-16248;AS-15423;LS-29023;24336 R.P;KETOPROFEN IMPURITY F [EP IMPURITY];B2939;CS-0154987;FT-0639810;FT-0654153;D84188;A826041;2-(3-BENZOYLPHENYL)PROPIONITRILE, (+/-)-;W-106256;Q27289555;2-(3-benzoylphenyl)propanenitrile

Suppliers and Price of 2-(3-Benzoylphenyl)propionitrile

Supply Marketing:Edit

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-Benzoyl-α-methylbenzeneacetonitrile
1g
$ 135.00

TCI Chemical
2-(3-Benzoylphenyl)propionitrile >98.0%(GC)
25g
$ 214.00

TCI Chemical
2-(3-Benzoylphenyl)propionitrile >98.0%(GC)
5g
$ 70.00

Sigma-Aldrich
2-(3-Benzoylphenyl)propionitrile 95%
25g
$ 274.00

Medical Isotopes, Inc.
3-Benzoyl-α-methylbenzeneacetonitrile
25 g
$ 700.00

Frontier Specialty Chemicals
2-(3-Benzoylphenyl)propionitrile 98%
1g
$ 25.00

Frontier Specialty Chemicals
2-(3-Benzoylphenyl)propionitrile 98%
5g
$ 83.00

Crysdot
2-(3-Benzoylphenyl)propanenitrile 97%
100g
$ 428.00

Biosynth Carbosynth
2-(3-Benzoylphenyl)propionitrile
25 g
$ 120.00

Biosynth Carbosynth
2-(3-Benzoylphenyl)propionitrile
10 g
$ 60.00

Total 122 raw suppliers

Chemical Property of 2-(3-Benzoylphenyl)propionitrile Edit

Chemical Property:

Vapor Pressure:1.24E-06mmHg at 25°C
Melting Point:47-53 °C(lit.)
Refractive Index:1.579
Boiling Point:400.8 °C at 760 mmHg
Flash Point:196.2 °C
PSA：40.86000
Density:1.115 g/cm³
LogP:3.54468
Storage Temp.:Sealed in dry,Room Temperature
Solubility.:soluble in Methanol
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:235.099714038
Heavy Atom Count:18
Complexity:334

Purity/Quality:

99% ^*data from raw suppliers

3-Benzoyl-α-methylbenzeneacetonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22-36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C#N)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2
Uses 2-(3-Benzoylphenyl)propionitrile was used as a substrate to study the enantioselectivity of nitrile hydratase from Rhodococcus equi A4.

Technology Process of 2-(3-Benzoylphenyl)propionitrile

There total 14 articles about 2-(3-Benzoylphenyl)propionitrile 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: 82.6%