≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | 508808697 |
|---|---|
| Canonical Smiles | C1=C(C=C(C=C1O)O)C#N |
| IUPAC Name | 3,5-dihydroxybenzonitrile |
| InChIKey | ABHOEQJNEOMTEK-UHFFFAOYSA-N |
| INCHI | 1S/C7H5NO2/c8-4-5-1-6(9)3-7(10)2-5/h1-3,9-10H |
| Isomeric SMILES | C1=C(C=C(C=C1O)O)C#N |
| Molecular Weight | 135.12 |
| Beilstein | 6322491 |
| Reaxy-Rn | 6322491 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6322491&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 | Phenols |
| Subclass | Benzenediols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Resorcinols |
| Alternative Parents | Benzonitriles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Nitriles Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Resorcinol - Benzonitrile - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3. |
| 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 |
|---|---|---|---|
 D2426150 | Certificate of Analysis | Apr 16, 2024 | D123485 |
| D2426151 | Certificate of Analysis | Apr 16, 2024 | D123485 |
| D2426152 | Certificate of Analysis | Apr 16, 2024 | D123485 |
| D2426153 | Certificate of Analysis | Apr 16, 2024 | D123485 |
| D2426154 | Certificate of Analysis | Apr 16, 2024 | D123485 |
| D2426155 | Certificate of Analysis | Apr 16, 2024 | D123485 |
| Solubility | Soluble in water. |
|---|---|
| Melt Point(°C) | 185-190°C |
| Molecular Weight | 135.120 g/mol |
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 135.032 Da |
| Monoisotopic Mass | 135.032 Da |
| Topological Polar Surface Area | 64.300 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 150.000 |
| 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 |
