≥99% 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 | 504751162 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751162 |
| Canonical Smiles | CC1=C(C=CC=C1Cl)[N+](=O)[O-] |
| IUPAC Name | 1-chloro-2-methyl-3-nitrobenzene |
| InChIKey | XCSNRORTQRKCHB-UHFFFAOYSA-N |
| INCHI | 1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3 |
| Isomeric SMILES | CC1=C(C=CC=C1Cl)[N+](=O)[O-] |
| WGK Germany | 3 |
| RTECS | XS9130000 |
| UN Number | 3457 |
| Packing Group | III |
| Molecular Weight | 171.58 |
| Beilstein | 1239924 |
| Reaxy-Rn | 1239924 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1239924&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 |
|---|---|---|---|
 H2218230 | Certificate of Analysis | Jun 08, 2026 | C117873 |
| H2218231 | Certificate of Analysis | Jun 08, 2026 | C117873 |
| K2125566 | Certificate of Analysis | Sep 08, 2025 | C117873 |
| K2125567 | Certificate of Analysis | Sep 08, 2025 | C117873 |
| K2009198 | Certificate of Analysis | Sep 05, 2024 | C117873 |
| K2525416 | Certificate of Analysis | Jul 15, 2024 | C117873 |
| K2525417 | Certificate of Analysis | Jul 15, 2024 | C117873 |
| K2525425 | Certificate of Analysis | Jul 15, 2024 | C117873 |
| K1918161 | Certificate of Analysis | Sep 05, 2023 | C117873 |
| F2305886 | Certificate of Analysis | Jun 18, 2022 | C117873 |
| H2218157 | Certificate of Analysis | Jun 18, 2022 | C117873 |
| F2305887 | Certificate of Analysis | Oct 22, 2021 | C117873 |
| Solubility | Soluble in alcohol and ether |
|---|---|
| Sensitivity | air sensitive |
| Flash Point(°F) | 257 °F |
| Flash Point(°C) | 125 °C |
| Boil Point(°C) | 238°C |
| Melt Point(°C) | 33°C-38°C |
| Molecular Weight | 171.580 g/mol |
| XLogP3 | 3.100 |
| 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 |
