Benzoyl cyanide

Base Information Edit

Chemical Name:Benzoyl cyanide
CAS No.:613-90-1
Molecular Formula:C8H5NO
Molecular Weight:131.134
Hs Code.:29269095
European Community (EC) Number:210-359-7
NSC Number:401920,120506
UNII:9R5O6C18O8
DSSTox Substance ID:DTXSID2060626
Nikkaji Number:J7.025D
Wikidata:Q15632897
Metabolomics Workbench ID:57926
Mol file:613-90-1.mol

Synonyms:BENZOYL CYANIDE;613-90-1;Phenylglyoxylonitrile;Benzoyl nitrile;Oxo(phenyl)acetonitrile;Glyoxylonitrile, phenyl-;Benzeneacetonitrile, .alpha.-oxo-;alpha-Oxobenzeneacetonitrile;alpha-oxo-alpha-tolunitrile;.alpha.-Oxobenzeneacetonitrile;alpha-Tolunitrile, alpha-oxo-;Benzeneacetonitrile, alpha-oxo-;9R5O6C18O8;EINECS 210-359-7;NSC 401920;NSC-401920;Benzoylcyanide;Phenyl glyoxonitrile;Phenylglyoxalic acid;AI3-13150;Phenylglyoxylo-nitrile;Benzoyl cyanide, 98%;PHENYL GLYOXONITRILE;2-oxo-2-phenylacetonitrile;2-oxo-2-phenyl-acetonitrile;SCHEMBL158535;UNII-9R5O6C18O8;DTXSID2060626;CHEBI:51853;GJQBHOAJJGIPRH-UHFFFAOYSA-;PHENYLGLYOXALIC ACID NITRILE;.alpha.-Tolunitrile, .alpha.-oxo-;MFCD00001837;NSC120506;NSC401920;STL445580;2-oxidanylidene-2-phenyl-ethanenitrile;AKOS009156479;NSC-120506;2-(OXO)-2-(PHENYL)ACETONITRILE;AS-16152;BP-13276;B0835;FT-0622742;EN300-36184;C21329;D88699;A833197;Q15632897;F0001-1615

Suppliers and Price of Benzoyl cyanide

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
Benzoyl cyanide
5g
$ 60.00

TRC
Benzoyl cyanide
10g
$ 75.00

TCI Chemical
Benzoyl Cyanide >98.0%(GC)
25g
$ 64.00

SynQuest Laboratories
Benzoyl cyanide
25 g
$ 148.00

Sigma-Aldrich
Benzoyl cyanide 98%
25g
$ 51.50

Sigma-Aldrich
Benzoyl cyanide 98%
100g
$ 161.00

Oakwood
Benzoyl cyanide 98%
1g
$ 10.00

Medical Isotopes, Inc.
Benzoyl cyanide 95+%
10 g
$ 350.00

Frontier Specialty Chemicals
Benzoyl cyanide 95%
100g
$ 169.00

Frontier Specialty Chemicals
Benzoyl cyanide 95%
25g
$ 53.00

Total 73 raw suppliers

Chemical Property of Benzoyl cyanide Edit

Chemical Property:

Appearance/Colour:yellow to brown low melting mass
Vapor Pressure:0.243mmHg at 25°C
Melting Point:28-31 °C(lit.)
Refractive Index:1.545
Boiling Point:206 °C at 760 mmHg
Flash Point:78.4 °C
PSA：40.86000
Density:1.146 g/cm³
LogP:1.39288
Solubility.:soluble in Methanol
Water Solubility.:slihtly soluble, decomposes
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:131.037113783
Heavy Atom Count:10
Complexity:171

Purity/Quality:

98%,99%, ^*data from raw suppliers

Benzoyl cyanide ^*data from reagent suppliers

Safty Information:

Pictogram(s): T,N
Hazard Codes:T,N
Statements: 25-50-34-24/25-20
Safety Statements: 36/37/39-45-61-29-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)C#N
uses Using benzoyl cyanide as an electrophile also gives selective acylation of the 3-position, as does levulinic acid in the presence of DCC. Benzoyl cyanide is used to study the mechanism of reduction of benzoyl cyanide in acetonitrile, N,N-dimethylformamide and acetonitrile. It undergoes hydrolysis by Rhodococcus sp. CCZU10-1 to form benzoylformic acid. Reagent for selective acylation of amino compounds.
Uses Reagent for selective acylation of amino compounds.

Technology Process of Benzoyl cyanide

There total 141 articles about Benzoyl cyanide 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: 97.0%