≥98% 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 | 488185428 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185428 |
| Canonical Smiles | CC1=C(C(=CC=C1)[N+](=O)[O-])Cl |
| IUPAC Name | 2-chloro-1-methyl-3-nitrobenzene |
| InChIKey | XTSGZXRUCAWXKY-UHFFFAOYSA-N |
| INCHI | 1S/C7H6ClNO2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,1H3 |
| Isomeric SMILES | CC1=C(C(=CC=C1)[N+](=O)[O-])Cl |
| WGK Germany | 3 |
| Molecular Weight | 171.58 |
| Reaxy-Rn | 511057 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=511057&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 |
|---|---|---|---|
 H1605032 | Certificate of Analysis | Apr 02, 2024 | C123631 |
| F23061383 | Certificate of Analysis | Jun 13, 2023 | C123631 |
| G23111018 | Certificate of Analysis | Jun 07, 2023 | C123631 |
| G23111021 | Certificate of Analysis | Jun 07, 2023 | C123631 |
| G23111027 | Certificate of Analysis | Jun 07, 2023 | C123631 |
| G23111028 | Certificate of Analysis | Jun 07, 2023 | C123631 |
| G23111032 | Certificate of Analysis | Jun 07, 2023 | C123631 |
| G23111039 | Certificate of Analysis | Jun 07, 2023 | C123631 |
| Refractive Index | 1.557 |
|---|---|
| Flash Point(°F) | 235.4 °F |
| Flash Point(°C) | 113°C |
| Boil Point(°C) | 147°C |
| Melt Point(°C) | 21°C |
| Molecular Weight | 171.580 g/mol |
| XLogP3 | 2.700 |
| 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. Jia Xu, Tao Li, Wei E. Huang, Ning-Yi Zhou. (2024) Semi-rational design of nitroarene dioxygenase for catalytic ability toward 2,4-dichloronitrobenzene. APPLIED AND ENVIRONMENTAL MICROBIOLOGY, [PMID:38709097] [10.1128/aem.01436-23] |
