≥95% 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 | 488185355 |
|---|---|
| Canonical Smiles | C1=CC(=CC(=C1)C(=O)N)C#N |
| IUPAC Name | 3-cyanobenzamide |
| InChIKey | PAQVSWFCADWSLB-UHFFFAOYSA-N |
| INCHI | 1S/C8H6N2O/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H2,10,11) |
| Isomeric SMILES | C1=CC(=CC(=C1)C(=O)N)C#N |
| Molecular Weight | 146.15 |
| Beilstein | 1907971 |
| Reaxy-Rn | 1907971 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907971&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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzamides |
| Alternative Parents | Benzoyl derivatives Benzonitriles Primary carboxylic acid amides Nitriles Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzamide - Benzonitrile - Benzoyl - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido 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 | Date | Item |
|---|---|---|---|
 D2308847 | Certificate of Analysis | Jan 20, 2026 | C333574 |
| D2308853 | Certificate of Analysis | Jan 20, 2026 | C333574 |
| D2308855 | Certificate of Analysis | Jan 20, 2026 | C333574 |
| D2308857 | Certificate of Analysis | Jan 20, 2026 | C333574 |
| D2308862 | Certificate of Analysis | Jan 20, 2026 | C333574 |
| D2308864 | Certificate of Analysis | Jan 20, 2026 | C333574 |
| Refractive Index | n20D1.59 (Predicted) |
|---|---|
| Boil Point(°C) | ~327.7° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 127.14° C (Predicted) |
| Molecular Weight | 146.150 g/mol |
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 146.048 Da |
| Monoisotopic Mass | 146.048 Da |
| Topological Polar Surface Area | 66.900 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 203.000 |
| 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 |
