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Benzoyl cyanide

CAS No.613-90-1
Chemical Name:Benzoyl cyanide
CBNumber:CB1716030
Molecular Formula:C8H5NO
Formula Weight:131.13
MOL File:613-90-1.mol

Benzoyl cyanide Property

Melting point 28-31 °C(lit.)
Boiling point 206 °C(lit.)
Density 1.106 g/mL at 25 °C(lit.)
refractive index 1.4700 (estimate)
Flash point 184 °F
solubility soluble in Methanol
form powder to lump to clear liquid
color White or Colorless to Light yellow
Water Solubility slihtly soluble, decomposes
BRN 1072101
CAS DataBase Reference 613-90-1(CAS DataBase Reference)
FDA UNII 9R5O6C18O8
NIST Chemistry Reference Benzeneacetonitrile, «alpha»-oxo-(613-90-1)
EPA Substance Registry System Benzeneacetonitrile, .alpha.-oxo- (613-90-1)
UNSPSC Code 12352100
NACRES NA.22

Safety

Hazard Codes :T,N
Risk Statements :25-50-34-24/25-20
Safety Statements :36/37/39-45-61-29-26
RIDADR :UN 3439 6.1/PG 2
WGK Germany :3
F :10
HazardClass :6.1(b)
PackingGroup :III
HS Code :29269095

NFPA 704:

	2
3		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordDanger
Hazard statements H300
Precautionary statements P264-P301+P310

Benzoyl cyanide Price More Price(5)

Brand: Sigma-Aldrich(India)
Product number: 115959
Product name : Benzoyl cyanide
Purity: 98%
Packaging: 25G
Price: ₹4741.35
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: 115959
Product name : Benzoyl cyanide
Purity: 98%
Packaging: 100G
Price: ₹10348.7
Updated: 2022/06/14
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Brand: TCI Chemicals (India)
Product number: B0835
Product name : Benzoyl Cyanide
Purity: min. 98.0 %
Packaging: 25G
Price: ₹4300
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Brand: ottokemi
Product number: B 1644
Product name : Benzoyl cyanide
Purity: 98%
Packaging: 25gm
Price: ₹9603
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Brand: ottokemi
Product number: B 1644
Product name : Benzoyl cyanide
Purity: 98%
Packaging: 100gm
Price: ₹29079
Updated: 2022/05/26
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Benzoyl cyanide Chemical Properties,Usage,Production

Chemical Properties yellow to brown low melting mass. Phenylglyoxylonitrile [613-90-1], benzoyl cyanide, Mr 131.13, mp 34℃, bp 206 – 208℃ (101.3 kPa), bp 96℃ (2 kPa), bp 82℃ (1.2 kPa), n26D 1.5303, can be used for selective reactions at the carbonyl and cyano groups. It is produced from the reaction of benzoyl chloride or benzoic anhydride with sodium cyanide (or hydrogen cyanide in the presence of alkali cyanide) in practically quantitative yield with copper (I) cyanide as catalyst. Benzoyl cyanide is used as an intermediate in the synthesis of plant protection agents.
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.
Definition ChEBI: Benzoyl cyanide is an alpha-ketonitrile and an aromatic ketone. It is functionally related to a benzoic acid.
Preparation Benzoyl cyanide is prepared by treatment of benzoyl chloride with sodium cyanide under phase-transfer catalytic conditions. This process is also used to convert 4-methyl, 4-methoxy, and 4-chlorobenzoyl chlorides into the corresponding benzoyl cyanides, and similarly cinnamoyl chloride into cinnamoyl cyanide (98%).
Synthesis Reference(s) Synthetic Communications, 15, p. 849, 1985 DOI: 10.1080/00397918508063881
General Description 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.