≥99% 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.
Product Description
2-Chloro-5-nitrobenzonitrile effectively conjugates with rat glutathione S-transferase (GST) isoenzymes and is an alternative model substrate in GST-research.
Product Application
2-Chloro-5-nitrobenzonitrile was used in online detection of rat glutathione S-transferase P1-specific inhibitors by high-resolution screening technology.
| Pubchem Sid | 488186324 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186324 |
| Canonical Smiles | C1=CC(=C(C=C1[N+](=O)[O-])C#N)Cl |
| IUPAC Name | 2-chloro-5-nitrobenzonitrile |
| InChIKey | ZGILLTVEEBNDOB-UHFFFAOYSA-N |
| INCHI | 1S/C7H3ClN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H |
| Isomeric SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C#N)Cl |
| WGK Germany | 3 |
| RTECS | DI3040000 |
| Molecular Weight | 182.56 |
| Beilstein | 1818642 |
| Reaxy-Rn | 1818642 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1818642&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 | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Nitroaromatic compounds Benzonitriles Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - Benzonitrile - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Organic oxoazanium - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. |
| 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 |
|---|---|---|---|
 C2201506 | Certificate of Analysis | Dec 12, 2025 | C120236 |
| C2201509 | Certificate of Analysis | Dec 12, 2025 | C120236 |
| C2201516 | Certificate of Analysis | Dec 12, 2025 | C120236 |
| D1309188 | Certificate of Analysis | Dec 05, 2024 | C120236 |
| A2402506 | Certificate of Analysis | Nov 24, 2023 | C120236 |
| I2516043 | Certificate of Analysis | Nov 24, 2023 | C120236 |
| I2525023 | Certificate of Analysis | Nov 24, 2023 | C120236 |
| C23211168 | Certificate of Analysis | Jan 04, 2022 | C120236 |
| F2305870 | Certificate of Analysis | Jan 04, 2022 | C120236 |
| Boil Point(°C) | 122°C/0.6mmHg |
|---|---|
| Melt Point(°C) | 104-107°C |
| Molecular Weight | 182.560 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 181.988 Da |
| Monoisotopic Mass | 181.988 Da |
| Topological Polar Surface Area | 69.600 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 229.000 |
| 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. Linxin Yao, Zuyan Liu, Xiaoqiong Wu, Xitao Guo, Zhiming Qiu, Yurong Yan. (2026) Cyano-Functionalized Polyimide with Li+ Coordination Channels: Ultra-Stable Nanofiber Separators for High-Energy-Density Lithium Batteries. ACS Applied Materials & Interfaces, [PMID:41505604] [10.1021/acsami.5c21195] |
