| Identification | More | [Name]
Benzoyl cyanide | [CAS]
613-90-1 | [Synonyms]
alpha-oxophenylacetonitrile
BENZOYL CYANIDE
PHENYLGLYOXYLONITRILE
alpha-oxo-benzeneacetonitril
alpha-Oxobenzeneacetonitrile
alpha-Tolunitrile, alpha-oxo-
Benzeneacetonitrile,alpha-oxo-
Benzeneacetonitrile,a-oxo-
Benzoyl nitrile
Glyoxylonitrile, phenyl-
Oxo(phenyl)acetonitrile
Oxo-phenyl-acetonitrile
Phenylglyoxonitrile
Phenylglyoxynitrile
α-Oxobenzeneacetonitrile
Benzoylcyanide98%
Benzoylcyanide 98%
α-keto-α-tolunitrile
α-oxo-α-tolunitrile
a-Oxobenzeneacetonitrile | [EINECS(EC#)]
210-359-7 | [Molecular Formula]
C8H5NO | [MDL Number]
MFCD00001837 | [Molecular Weight]
131.13 | [MOL File]
613-90-1.mol |
| Chemical Properties | Back Directory | [Appearance]
yellow to brown low melting mass | [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) | [Fp ]
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 | [InChI]
InChI=1S/C8H5NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H | [InChIKey]
GJQBHOAJJGIPRH-UHFFFAOYSA-N | [SMILES]
C(C1C=CC=CC=1)(=O)C#N | [CAS DataBase Reference]
613-90-1(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzeneacetonitrile, «alpha»-oxo-(613-90-1) | [EPA Substance Registry System]
613-90-1(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
T,N | [Risk Statements ]
R25:Toxic if swallowed.
R50:Very Toxic to aquatic organisms.
R34:Causes burns.
R24/25:Toxic in contact with skin and if swallowed .
R20:Harmful by inhalation. | [Safety Statements ]
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S29:Do not empty into drains .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
UN 3439 6.1/PG 2
| [WGK Germany ]
3
| [F ]
10 | [TSCA ]
TSCA listed | [HazardClass ]
6.1(b) | [PackingGroup ]
III | [HS Code ]
29269095 |
| Hazard Information | Back Directory | [Chemical Properties]
yellow to brown low melting mass | [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. |
|
| Company Name: |
J & K SCIENTIFIC LTD.
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| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Energy Chemical
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400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Maya High Purity Chemicals
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| Telephone: |
+86 (573) 82222445 (0)18006601000 452520369 |
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www.chemicalbook.com/ShowSupplierProductsList15221/0_EN.htm |
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