≥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 | 504763280 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763280 |
| Canonical Smiles | C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)(C3=CC=C(C=C3)C#N)C4=CC=C(C=C4)C#N |
| IUPAC Name | 4-[tris(4-cyanophenyl)methyl]benzonitrile |
| InChIKey | HXZGMLINTVQVPX-UHFFFAOYSA-N |
| INCHI | 1S/C29H16N4/c30-17-21-1-9-25(10-2-21)29(26-11-3-22(18-31)4-12-26,27-13-5-23(19-32)6-14-27)28-15-7-24(20-33)8-16-28/h1-16H |
| Isomeric SMILES | C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)(C3=CC=C(C=C3)C#N)C4=CC=C(C=C4)C#N |
| Molecular Weight | 420.46 |
| Reaxy-Rn | 3568157 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3568157&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 | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Sesquiterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sesquiterpenoids |
| Alternative Parents | Benzonitriles Nitriles Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Bisabolane sesquiterpenoid - Sesquiterpenoid - Benzonitrile - Benzenoid - Monocyclic benzene moiety - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. |
| 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 |
|---|---|---|---|
 A23301006 | Certificate of Analysis | Nov 06, 2025 | B299809 |
| A2331059 | Certificate of Analysis | Oct 29, 2025 | B299809 |
| A2331060 | Certificate of Analysis | Oct 29, 2025 | B299809 |
| F2519132 | Certificate of Analysis | Oct 28, 2022 | B299809 |
| Molecular Weight | 420.500 g/mol |
|---|---|
| XLogP3 | 5.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 420.137 Da |
| Monoisotopic Mass | 420.137 Da |
| Topological Polar Surface Area | 95.200 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 702.000 |
| 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 |
