≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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.
| Pubchem Sid | 488189420 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488189420 |
| Sonrisas canónicas | C1=CC(=CC(=C1)C(=O)Cl)C#N |
| IUPAC Name | 3-cyanobenzoyl chloride |
| InChIKey | RPESZQVUWMFBEO-UHFFFAOYSA-N |
| INCHI | 1S/C8H4ClNO/c9-8(11)7-3-1-2-6(4-7)5-10/h1-4H |
| Isómeros SMILES | C1=CC(=CC(=C1)C(=O)Cl)C#N |
| WGK Alemania | 3 |
| Peso molecular | 165.58 |
| Reaxy-Rn | 606964 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606964&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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acids and derivatives |
| Alternative Parents | Benzoyl derivatives Benzonitriles Nitriles Acyl chlorides Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoic acid or derivatives - Benzonitrile - Benzoyl - Acyl chloride - Acyl halide - Carbonitrile - Nitrile - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 E2530279 | Certificate of Analysis | May 07, 2025 | C167859 |
| E2530280 | Certificate of Analysis | May 07, 2025 | C167859 |
| E2530281 | Certificate of Analysis | May 07, 2025 | C167859 |
| B23071274 | Certificate of Analysis | Nov 08, 2024 | C167859 |
| B23071175 | Certificate of Analysis | Nov 08, 2024 | C167859 |
| B23071152 | Certificate of Analysis | Nov 26, 2022 | C167859 |
| B23071195 | Certificate of Analysis | Nov 26, 2022 | C167859 |
| B23071196 | Certificate of Analysis | Nov 26, 2022 | C167859 |
| Sensibilidad | Moisture sensitive |
|---|---|
| Punto de inflamación (°F) | 235.4 °F |
| Punto de inflamación (°C) | 113 °C |
| Punto de ebullición (°C) | 125-129 °C/11 mmHg |
| Punto de fusión (°C) | 42-44°C |
| Peso molecular | 165.570 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 164.998 Da |
| Monoisotopic Mass | 164.998 Da |
| Topological Polar Surface Area | 40.900 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 205.000 |
| 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 |
