≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| Canonical Smiles | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=C(C2=O)Cl)Cl |
|---|---|
| IUPAC Name | 2,3-dichloro-6-nitronaphthalene-1,4-dione |
| InChIKey | NQKHIWJEMSIMRV-UHFFFAOYSA-N |
| INCHI | 1S/C10H3Cl2NO4/c11-7-8(12)10(15)6-3-4(13(16)17)1-2-5(6)9(7)14/h1-3H |
| Isomeric SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=C(C2=O)Cl)Cl |
| Molecular Weight | 272.04 |
| Reaxy-Rn | 2285332 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2285332&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 | Naphthalenes |
| Subclass | Nitronaphthalenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitronaphthalenes |
| Alternative Parents | Naphthoquinones Quinones Aryl ketones Nitroaromatic compounds Vinylogous halides Alpha-chloroketones Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Chloroalkenes Organic oxoazanium compounds Organochlorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic salts Organic cations |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | 2-nitronaphthalene - Naphthoquinone - Nitroaromatic compound - Quinone - Aryl ketone - Alpha-haloketone - Alpha-chloroketone - Vinylogous halide - Ketone - C-nitro compound - Organic nitro compound - Organic oxoazanium - Chloroalkene - Vinyl chloride - Vinyl halide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Haloalkene - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic salt - Organic cation - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitronaphthalenes. These are polycyclic aromatic compounds containing a naphthalene moiety substituted by one or more nitro groups. |
| External Descriptors | Not available |
| Molecular Weight | 272.040 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 270.944 Da |
| Monoisotopic Mass | 270.944 Da |
| Topological Polar Surface Area | 80.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 440.000 |
| 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 |
I2419441