≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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=CC=C2[N+](=O)[O-])C(=C1)C(=O)O |
|---|---|
| IUPAC Name | 5-nitronaphthalene-1-carboxylic acid |
| InChIKey | XOUKDQBDXPQJJI-UHFFFAOYSA-N |
| INCHI | 1S/C11H7NO4/c13-11(14)9-5-1-4-8-7(9)3-2-6-10(8)12(15)16/h1-6H,(H,13,14) |
| Isomeric SMILES | C1=CC2=C(C=CC=C2[N+](=O)[O-])C(=C1)C(=O)O |
| Alternate CAS | 1975-44-6 |
| Molecular Weight | 217.18 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Naphthalenes |
| Subclass | Nitronaphthalenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitronaphthalenes |
| Alternative Parents | Naphthalenecarboxylic acids Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | 1-naphthalenecarboxylic acid - 1-naphthalenecarboxylic acid or derivatives - 1-nitronaphthalene - Nitroaromatic compound - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2525549 | Certificate of Analysis | Dec 17, 2024 | N679929 |
| F2525550 | Certificate of Analysis | Dec 17, 2024 | N679929 |
| F2525552 | Certificate of Analysis | Dec 17, 2024 | N679929 |
| F2525558 | Certificate of Analysis | Dec 17, 2024 | N679929 |
| F2525559 | Certificate of Analysis | Dec 17, 2024 | N679929 |
| F2525560 | Certificate of Analysis | Dec 17, 2024 | N679929 |
| Molecular Weight | 217.180 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 217.038 Da |
| Monoisotopic Mass | 217.038 Da |
| Topological Polar Surface Area | 83.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 299.000 |
| 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 |
