≥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.
| Pubchem Sid | 488181525 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181525 |
| Canonical Smiles | C1=C(C=C(C=C1Cl)Cl)[N+](=O)[O-] |
| IUPAC Name | 1,3-dichloro-5-nitrobenzene |
| InChIKey | RNABGKOKSBUFHW-UHFFFAOYSA-N |
| INCHI | 1S/C6H3Cl2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H |
| Isomeric SMILES | C1=C(C=C(C=C1Cl)Cl)[N+](=O)[O-] |
| WGK Germany | 3 |
| Molecular Weight | 192 |
| Beilstein | 2208880 |
| Reaxy-Rn | 2208877 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208877&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 Dichlorobenzenes 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 - Nitroaromatic compound - 1,3-dichlorobenzene - 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 - 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 |
|---|---|---|---|
 K2217577 | Certificate of Analysis | Jun 09, 2026 | D134087 |
| H2208037 | Certificate of Analysis | Feb 04, 2026 | D134087 |
| H2020105 | Certificate of Analysis | Jan 05, 2026 | D134087 |
| J2330310 | Certificate of Analysis | Aug 11, 2025 | D134087 |
| K2217576 | Certificate of Analysis | Oct 13, 2022 | D134087 |
| K2217578 | Certificate of Analysis | Oct 13, 2022 | D134087 |
| H2020106 | Certificate of Analysis | Jun 23, 2022 | D134087 |
| H2020104 | Certificate of Analysis | Jun 22, 2022 | D134087 |
| Solubility | Insoluble in water |
|---|---|
| Melt Point(°C) | 62 °C |
| Molecular Weight | 192.000 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 190.954 Da |
| Monoisotopic Mass | 190.954 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 149.000 |
| 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. Hongbo Yu, Shuibo Wang, Lin Zhu, Chunzheng Wu. (2023) One-pot synthesis of Pt@Sn core-shell nanocatalysts for the hydrogenation of halonitrobenzene to produce haloaniline with ultra-high selectivity. APPLIED SURFACE SCIENCE, [PMID:] [10.1016/j.apsusc.2023.158729] |
