≥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 | 488186537 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186537 |
| Canonical Smiles | C1=CC(=C(C=C1Cl)C#N)Cl |
| IUPAC Name | 2,5-dichlorobenzonitrile |
| InChIKey | LNGWRTKJZCBXGT-UHFFFAOYSA-N |
| INCHI | 1S/C7H3Cl2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H |
| Isomeric SMILES | C1=CC(=C(C=C1Cl)C#N)Cl |
| WGK Germany | 3 |
| UN Number | 3276 |
| Molecular Weight | 172.01 |
| Beilstein | 9(3)1377 |
| Reaxy-Rn | 2045293 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045293&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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2316967 | Certificate of Analysis | Mar 18, 2026 | D113543 |
| D2301852 | Certificate of Analysis | Jan 21, 2026 | D113543 |
| H1608048 | Certificate of Analysis | Jan 20, 2025 | D113543 |
| A2206681 | Certificate of Analysis | Oct 24, 2024 | D113543 |
| A2206752 | Certificate of Analysis | Oct 24, 2024 | D113543 |
| Solubility | Soluble in Methanol |
|---|---|
| Melt Point(°C) | 130-132°C |
| Molecular Weight | 172.010 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 170.964 Da |
| Monoisotopic Mass | 170.964 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 160.000 |
| 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 |
