≥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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
The vibrational spectra of 2-amino-5-chlorobenzonitrile was studied using density functinal theory.
2-Amino-5-chlorobenzonitrile was used to build up the 2,2-dioxide-1H-2,1,3-benzothiadiazine ring system.
| Pubchem Sid | 488185805 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185805 |
| Canonical Smiles | C1=CC(=C(C=C1Cl)C#N)N |
| IUPAC Name | 2-amino-5-chlorobenzonitrile |
| InChIKey | QYRDWARBHMCOAG-UHFFFAOYSA-N |
| INCHI | 1S/C7H5ClN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2 |
| Isomeric SMILES | C1=CC(=C(C=C1Cl)C#N)N |
| WGK Germany | 3 |
| Molecular Weight | 152.58 |
| Reaxy-Rn | 2358972 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2358972&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 | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | Aniline and substituted anilines Chlorobenzenes Aryl chlorides Nitriles Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carbonitrile - Nitrile - Amine - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. |
| 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 |
|---|---|---|---|
 A2104220 | Certificate of Analysis | Oct 09, 2024 | A151558 |
| A2104219 | Certificate of Analysis | Oct 09, 2024 | A151558 |
| A2104218 | Certificate of Analysis | Oct 09, 2024 | A151558 |
| A2104217 | Certificate of Analysis | Oct 09, 2024 | A151558 |
| A2104216 | Certificate of Analysis | Oct 09, 2024 | A151558 |
| A2508020 | Certificate of Analysis | Jun 28, 2024 | A151558 |
| L2426280 | Certificate of Analysis | Jun 28, 2024 | A151558 |
| H2521047 | Certificate of Analysis | Dec 05, 2023 | A151558 |
| K2324044 | Certificate of Analysis | Dec 05, 2023 | A151558 |
| E2320017 | Certificate of Analysis | Jun 01, 2023 | A151558 |
| Solubility | Soluble in methanol. |
|---|---|
| Boil Point(°C) | 159 °C/10 mmHg |
| Melt Point(°C) | 96 °C |
| Molecular Weight | 152.580 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 152.014 Da |
| Monoisotopic Mass | 152.014 Da |
| Topological Polar Surface Area | 49.800 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 |
| 1. Guo-Ying Zhao, Ling-Ling Mu, Latif Ullah, Meng Wang, Hong-Ping Li, Xin-Xin Guan. (2018) CO2 involved synthesis of quinazoline-2,4(1H,3H)-diones in water using melamine as a thermoregulated catalyst. Canadian Journal of Chemistry, 97 (3): [PMID:] [10.1139/cjc-2017-0705] |
