≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
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.
| Canonical Smiles | C1=CC=C(C=C1)C(=O)C#N |
|---|---|
| IUPAC Name | benzoyl cyanide |
| InChIKey | GJQBHOAJJGIPRH-UHFFFAOYSA-N |
| INCHI | 1S/C8H5NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H |
| Isomeric SMILES | C1=CC=C(C=C1)C(=O)C#N |
| WGK Germany | 3 |
| UN Number | 3439 |
| Molecular Weight | 131.13 |
| Beilstein | 1072101 |
| Reaxy-Rn | 1072101 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1072101&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoyl derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoyl derivatives |
| Alternative Parents | Aryl ketones Acyl cyanides Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aryl ketone - Benzoyl - Ketone - Nitrile - Carbonitrile - Acyl cyanide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). |
| External Descriptors | aromatic ketone - alpha-ketonitrile |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2215078 | Certificate of Analysis | Apr 15, 2026 | B101370 |
| G2215068 | Certificate of Analysis | Apr 07, 2026 | B101370 |
| G2215082 | Certificate of Analysis | Apr 07, 2026 | B101370 |
| K2505026 | Certificate of Analysis | Nov 22, 2025 | B101370 |
| J2522123 | Certificate of Analysis | Nov 04, 2025 | B101370 |
| K2123272 | Certificate of Analysis | Sep 04, 2025 | B101370 |
| I2103044 | Certificate of Analysis | Jun 09, 2025 | B101370 |
| L2404070 | Certificate of Analysis | Jul 04, 2022 | B101370 |
| Solubility | Soluble in Methanol |
|---|---|
| Sensitivity | Moisture sensitive. |
| Freezing Point(°C) | 25 °C |
| Flash Point(°F) | 183.2 °F |
| Flash Point(°C) | 84 °C |
| Boil Point(°C) | 206°C |
| Melt Point(°C) | 28-31°C |
| Molecular Weight | 131.130 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 131.037 Da |
| Monoisotopic Mass | 131.037 Da |
| Topological Polar Surface Area | 40.900 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 171.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
