≥97% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488187491 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187491 |
| Canonical Smiles | C1=C(C=C(C(=C1Cl)I)Cl)[N+](=O)[O-] |
| IUPAC Name | 1,3-dichloro-2-iodo-5-nitrobenzene |
| InChIKey | FCDBEIIBODDDEJ-UHFFFAOYSA-N |
| INCHI | 1S/C6H2Cl2INO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H |
| Isomeric SMILES | C1=C(C=C(C(=C1Cl)I)Cl)[N+](=O)[O-] |
| Molecular Weight | 317.89 |
| Reaxy-Rn | 3287066 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3287066&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 Iodobenzenes Aryl iodides Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Iodobenzene - Aryl chloride - Aryl halide - Aryl iodide - Organic nitro compound - C-nitro compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organoiodide - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen 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 |
|---|---|---|---|
 D23191318 | Certificate of Analysis | Mar 15, 2023 | D155956 |
| D23191329 | Certificate of Analysis | Mar 15, 2023 | D155956 |
| D23191332 | Certificate of Analysis | Mar 15, 2023 | D155956 |
| D23191335 | Certificate of Analysis | Mar 15, 2023 | D155956 |
| D23191400 | Certificate of Analysis | Mar 15, 2023 | D155956 |
| D23191404 | Certificate of Analysis | Mar 15, 2023 | D155956 |
| Melt Point(°C) | 153 °C |
|---|---|
| Molecular Weight | 317.890 g/mol |
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 316.851 Da |
| Monoisotopic Mass | 316.851 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 175.000 |
| 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 |
