≥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.
| Pubchem Sid | 504755666 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755666 |
| Canonical Smiles | CC1=C(C=CC(=C1)[N+](=O)[O-])Cl |
| IUPAC Name | 1-chloro-2-methyl-4-nitrobenzene |
| InChIKey | BGDCQZFFNFXYQC-UHFFFAOYSA-N |
| INCHI | 1S/C7H6ClNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3 |
| Isomeric SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])Cl |
| WGK Germany | 3 |
| UN Number | 3457 |
| Molecular Weight | 171.58 |
| Beilstein | 2044766 |
| Reaxy-Rn | 2044766 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044766&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 | Nitrotoluenes Nitroaromatic compounds Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen 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 |
|---|---|---|---|
 L1727024 | Certificate of Analysis | Jul 09, 2025 | N121710 |
| A2128156 | Certificate of Analysis | Dec 17, 2024 | N121710 |
| A2128155 | Certificate of Analysis | Dec 17, 2024 | N121710 |
| L2418852 | Certificate of Analysis | Apr 28, 2024 | N121710 |
| D1902149 | Certificate of Analysis | Jan 05, 2023 | N121710 |
| D2321365 | Certificate of Analysis | Mar 24, 2022 | N121710 |
| D2321367 | Certificate of Analysis | Mar 24, 2022 | N121710 |
| E2231046 | Certificate of Analysis | Mar 24, 2022 | N121710 |
| E2231047 | Certificate of Analysis | Mar 24, 2022 | N121710 |
| E2231060 | Certificate of Analysis | Mar 24, 2022 | N121710 |
| E2231065 | Certificate of Analysis | Mar 24, 2022 | N121710 |
| Boil Point(°C) | 96°C/3.8mmHg |
|---|---|
| Melt Point(°C) | 44°C |
| Molecular Weight | 171.580 g/mol |
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 171.009 Da |
| Monoisotopic Mass | 171.009 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 157.000 |
| 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. Jinchao Li, Huiting Li, Haorui Duan, Jun Long, Wenheng Huang, Yafei Yu, Wenjie Zhu, Liang Chen, Jijun Chen, Yaping Zhang. (2023) Sulfonated polyimide membranes with branched architecture and unique diamine monomer for implementation in vanadium redox flow battery. JOURNAL OF POWER SOURCES, [PMID:] [10.1016/j.jpowsour.2023.233892] |
