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Basic Description
| Synonyms | UNII-L3FBD88RA8 | FT-0610206 | EINECS 210-219-5 | UPCMLD0ENAT0512-2265:001 | L3FBD88RA8 | F87367 | A20326 | AC-26044 | AK-968/40879354 | BBL025860 | MFCD00017006 | BRN 0658650 | InChI=1/C7H4N2O6/c10-7(11)5-2-1-4(8(12)13)3-6(5)9(14)15/h1-3H,(H,10,11 | 2.4- |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzoic acids and derivatives |
| Alternative Parents | Nitrobenzenes Benzoic acids Nitroaromatic compounds Benzoyl derivatives 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 homomonocyclic compounds |
| Substituents | Nitrobenzoate - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - 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 homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 488181461 |
|---|---|
| IUPAC Name | 2,4-dinitrobenzoic acid |
| INCHI | InChI=1S/C7H4N2O6/c10-7(11)5-2-1-4(8(12)13)3-6(5)9(14)15/h1-3H,(H,10,11) |
| InChIKey | ZIIGSRYPZWDGBT-UHFFFAOYSA-N |
| Smiles | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O |
| Isomeric SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O |
| WGK Germany | 3 |
| RTECS | DG9140500 |
| Molecular Weight | 212.12 |
| Beilstein | 658650 |
| Reaxy-Rn | 658650 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=658650&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2325510 |
Certificate of Analysis | Jan 14, 2025 | D136422 |
| C2325512 |
Certificate of Analysis | Jan 14, 2025 | D136422 |
| C2325547 |
Certificate of Analysis | Jan 14, 2025 | D136422 |
| C2325511 |
Certificate of Analysis | Jan 14, 2025 | D136422 |
| C2325534 |
Certificate of Analysis | Jan 14, 2025 | D136422 |
| C2325564 |
Certificate of Analysis | Jan 14, 2025 | D136422 |
| C2325516 |
Certificate of Analysis | Jan 14, 2025 | D136422 |
| C2325515 |
Certificate of Analysis | Jan 14, 2025 | D136422 |
| B2207343 |
Certificate of Analysis | Nov 14, 2023 | D136422 |
| B2207344 |
Certificate of Analysis | Nov 14, 2023 | D136422 |
| B2207342 |
Certificate of Analysis | Nov 14, 2023 | D136422 |
| A2415268 |
Certificate of Analysis | Oct 24, 2023 | D136422 |
| A2415269 |
Certificate of Analysis | Oct 24, 2023 | D136422 |
| A2415270 |
Certificate of Analysis | Oct 24, 2023 | D136422 |
| A2415276 |
Certificate of Analysis | Oct 24, 2023 | D136422 |
| A2415277 |
Certificate of Analysis | Oct 24, 2023 | D136422 |
| A2415281 |
Certificate of Analysis | Oct 24, 2023 | D136422 |
| A2415282 |
Certificate of Analysis | Oct 24, 2023 | D136422 |
| A2415283 |
Certificate of Analysis | Oct 24, 2023 | D136422 |
| B2207345 |
Certificate of Analysis | Jan 10, 2022 | D136422 |
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Chemical and Physical Properties
| Solubility | Soluble in dioxane 50 mg/ml. |
|---|---|
| Melt Point(°C) | 178-184°C |
| Molecular Weight | 212.120 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 212.007 Da |
| Monoisotopic Mass | 212.007 Da |
| Topological Polar Surface Area | 129.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 293.000 |
| 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 |
Citations of This Product
| 1. Li Liang, Ding Jing. (2024) Mechanisms and Factors Influencing Adsorption of Nitroaromatic Compounds by Smectite Clays. WATER AIR AND SOIL POLLUTION, 235 (10): (1-15). |
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