≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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 | 488191393 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488191393 |
| Canonical Smiles | C1=C(C=C(C(=C1C#N)N)Cl)Cl |
| IUPAC Name | 2-amino-3,5-dichlorobenzonitrile |
| InChIKey | ZHKNDJRPOVUPMT-UHFFFAOYSA-N |
| INCHI | 1S/C7H4Cl2N2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2 |
| Isomeric SMILES | C1=C(C=C(C(=C1C#N)N)Cl)Cl |
| Molecular Weight | 187.03 |
| Reaxy-Rn | 2720575 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2720575&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 Aniline and substituted anilines Aryl chlorides Nitriles Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - 1,3-dichlorobenzene - Aniline or substituted anilines - Aryl chloride - Aryl halide - Nitrile - Carbonitrile - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organopnictogen 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 |
|---|---|---|---|
 B2321518 | Certificate of Analysis | Dec 12, 2022 | B301217 |
| B2321525 | Certificate of Analysis | Dec 12, 2022 | B301217 |
| B2321542 | Certificate of Analysis | Dec 12, 2022 | B301217 |
| B2321544 | Certificate of Analysis | Dec 12, 2022 | B301217 |
| B2321601 | Certificate of Analysis | Dec 12, 2022 | B301217 |
| B2321606 | Certificate of Analysis | Dec 12, 2022 | B301217 |
| Sensitivity | Air sensitive |
|---|---|
| Melt Point(°C) | 123-127 °C |
| Molecular Weight | 187.020 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 185.975 Da |
| Monoisotopic Mass | 185.975 Da |
| Topological Polar Surface Area | 49.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 186.000 |
| 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 |
