≥97% 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 | 504752858 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752858 |
| Sorrisi canonici | C1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| IUPAC Name | 4-phenylbenzonitrile |
| InChIKey | BPMBNLJJRKCCRT-UHFFFAOYSA-N |
| INCHI | 1S/C13H9N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H |
| Isomeri SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| WGK Germania | 3 |
| Numero UN | 3439 |
| Peso molecolare | 179.22 |
| Beilstein | 1907924 |
| Reaxy-Rn | 1907924 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907924&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 |
| Classe | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biphenylcarbonitriles |
| Alternative Parents | Benzonitriles Nitriles Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Biphenylcarbonitrile - Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Data | Oggetto |
|---|---|---|---|
 B2225668 | Certificate of Analysis | Dec 12, 2025 | P102157 |
| B2225671 | Certificate of Analysis | Dec 12, 2025 | P102157 |
| B2225682 | Certificate of Analysis | Dec 12, 2025 | P102157 |
| B2225867 | Certificate of Analysis | Dec 12, 2025 | P102157 |
| G1218049 | Certificate of Analysis | Apr 07, 2024 | P102157 |
| A2419551 | Certificate of Analysis | Nov 24, 2023 | P102157 |
| A2419552 | Certificate of Analysis | Nov 24, 2023 | P102157 |
| A2419553 | Certificate of Analysis | Nov 24, 2023 | P102157 |
| D2324672 | Certificate of Analysis | Jan 13, 2022 | P102157 |
| Solubilità | souble in Methanol |
|---|---|
| Punto di ebollizione (°C) | 193°C/20mmHg |
| Punto di fusione (°C) | 85-87°C |
| Peso molecolare | 179.220 g/mol |
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 179.073 Da |
| Monoisotopic Mass | 179.073 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 211.000 |
| 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 |
