≥97% 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.
Chloroxynil is a benzonitrile herbicide, whose mode of action involves the inhibition of electron transfer in photosystem II receptor site
| Pubchem Sid | 528757979 |
|---|---|
| Canonical Smiles | C1=C(C=C(C(=C1Cl)O)Cl)C#N |
| IUPAC Name | 3,5-dichloro-4-hydroxybenzonitrile |
| InChIKey | YRSSHOVRSMQULE-UHFFFAOYSA-N |
| INCHI | 1S/C7H3Cl2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H |
| Isomeric SMILES | C1=C(C=C(C(=C1Cl)O)Cl)C#N |
| WGK Germany | 3 |
| Alternate CAS | 1891-95-8 |
| PubChem CID | 74685 |
| UN Number | 2811 |
| MeSH Entry Terms | 3,5-dichloro-4-hydroxybenzonitrile;chloroxynil |
| Molecular Weight | 188.01 |
| Beilstein | 1949990 |
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 | Halobenzenes |
| Intermediate Tree Nodes | Chlorobenzenes |
| Direct Parent | Dichlorobenzenes |
| Alternative Parents | O-chlorophenols Benzonitriles Aryl chlorides Nitriles Organopnictogen compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - 1,3-dichlorobenzene - 2-halophenol - 2-chlorophenol - Phenol - Aryl halide - Aryl chloride - Nitrile - Carbonitrile - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it. |
| 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 |
|---|---|---|---|
 F2513326 | Certificate of Analysis | Apr 18, 2025 | D630934 |
| F2513327 | Certificate of Analysis | Apr 18, 2025 | D630934 |
| F2513392 | Certificate of Analysis | Apr 18, 2025 | D630934 |
| F2513393 | Certificate of Analysis | Apr 18, 2025 | D630934 |
| F2513395 | Certificate of Analysis | Apr 18, 2025 | D630934 |
| F2513396 | Certificate of Analysis | Apr 18, 2025 | D630934 |
| Solubility | Slightly soluble in water. |
|---|---|
| Melt Point(°C) | 138-142°C |
| Molecular Weight | 188.010 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 186.959 Da |
| Monoisotopic Mass | 186.959 Da |
| Topological Polar Surface Area | 44.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 176.000 |
| 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 |
