≥98%(GC) 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
4,5-Dichlorophthalonitrile (4,5-dichloro-1,2-dicyanobenzene) is a phthalonitrile derivative. It has been synthesized from 4,5-dichloro-1,2-benzenedicarboxamide and characterized by 1H ,13C-NMR and IR.4,5-dichlorophthalonitrile undergoes base catalyzed nucleophilic aromatic substitution reaction with O-, S- nucleophiles and acidic -CH containing compounds to form corresponding phthalonitrile derivatives, which are the precursors in the synthesis of phthalocyanines.
| Pubchem Sid | 488191637 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488191637 |
| Canonical Smiles | C1=C(C(=CC(=C1Cl)Cl)C#N)C#N |
| IUPAC Name | 4,5-dichlorobenzene-1,2-dicarbonitrile |
| InChIKey | SRIJSZQFAMLVQV-UHFFFAOYSA-N |
| INCHI | 1S/C8H2Cl2N2/c9-7-1-5(3-11)6(4-12)2-8(7)10/h1-2H |
| Isomeric SMILES | C1=C(C(=CC(=C1Cl)Cl)C#N)C#N |
| WGK Germany | 3 |
| Molecular Weight | 197.02 |
| Reaxy-Rn | 3263101 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3263101&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 | 1,2-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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2110332 | Certificate of Analysis | Sep 11, 2024 | D154532 |
| L2110333 | Certificate of Analysis | Sep 11, 2024 | D154532 |
| E2429413 | Certificate of Analysis | May 14, 2024 | D154532 |
| E2429420 | Certificate of Analysis | May 14, 2024 | D154532 |
| E2429421 | Certificate of Analysis | May 14, 2024 | D154532 |
| E2429426 | Certificate of Analysis | May 14, 2024 | D154532 |
| E2429433 | Certificate of Analysis | May 14, 2024 | D154532 |
| H2511070 | Certificate of Analysis | May 14, 2024 | D154532 |
| D2407239 | Certificate of Analysis | Mar 12, 2024 | D154532 |
| C2429459 | Certificate of Analysis | Mar 12, 2024 | D154532 |
| Solubility | Solubility in hot Methano,almost transparency |
|---|---|
| Melt Point(°C) | 180-185°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 |
| 1. Hai Yao, Kaikai Xu, Jiahong Zhou, Lin Zhou, Shaohua Wei. (2019) A Tumor Microenvironment Destroyer for Efficient Cancer Suppression. ACS Biomaterials Science & Engineering, [PMID:33463237] [10.1021/acsbiomaterials.9b01544] |
| 2. Lin Zhou, Enyi Chen, Weiwei Jin, Yue Wang, Jiahong Zhou, Shaohua Wei. (2016) Monomer zinc phthalocyanine/upconversion nanoparticle coated with hyaluronic acid crosslinked gel as NIR light-activated drug for in vitro photodynamic therapy. DALTON TRANSACTIONS, 45 (38): (15170-15179). [PMID:27711660] [10.1039/C6DT01929C] |
