Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
≥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 | 488187648 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187648 |
| Canonical Smiles | C1=C(C(=CC(=C1Cl)C#N)Cl)C#N |
| IUPAC Name | 2,5-dichlorobenzene-1,4-dicarbonitrile |
| InChIKey | UCRQGBRIGDKUAM-UHFFFAOYSA-N |
| INCHI | 1S/C8H2Cl2N2/c9-7-1-5(3-11)8(10)2-6(7)4-12/h1-2H |
| Isomeric SMILES | C1=C(C(=CC(=C1Cl)C#N)Cl)C#N |
| RTECS | CZ1939030 |
| Molecular Weight | 197.02 |
| Reaxy-Rn | 2448387 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2448387&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 | Halobenzenes |
| Intermediate Tree Nodes | Chlorobenzenes |
| Direct Parent | Dichlorobenzenes |
| Alternative Parents | Benzonitriles Aryl chlorides Nitriles Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 1,4-dichlorobenzene - Benzonitrile - Aryl halide - Aryl chloride - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen 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 |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Feb 01, 2023 | D154621 | |
| Certificate of Analysis | Feb 01, 2023 | D154621 | |
| Certificate of Analysis | Feb 01, 2023 | D154621 | |
| Certificate of Analysis | Feb 01, 2023 | D154621 | |
| Certificate of Analysis | Feb 01, 2023 | D154621 | |
| Certificate of Analysis | Feb 01, 2023 | D154621 | |
| Certificate of Analysis | Feb 01, 2023 | D154621 | |
| Certificate of Analysis | Feb 01, 2023 | D154621 | |
| Certificate of Analysis | Feb 01, 2023 | D154621 | |
| Certificate of Analysis | Feb 01, 2023 | D154621 |
| Solubility | Slightly soluble in Acetone |
|---|---|
| Melt Point(°C) | 214 °C |
| Molecular Weight | 197.020 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 195.96 Da |
| Monoisotopic Mass | 195.96 Da |
| Topological Polar Surface Area | 47.600 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 231.000 |
| 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 |