≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Ships FedEx DG Service 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 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Dinitrobenzene is commonly used in industrial explosives containing ammonium nitrate. 1,4-Dinitrobenzene forms negative molecular ion M-· by electron capture or charge exchange.
| Sourires canoniques | C1=CC(=CC=C1[N+](=O)[O-])[N+](=O)[O-] |
|---|---|
| IUPAC Name | 1,4-dinitrobenzene |
| InChIKey | FYFDQJRXFWGIBS-UHFFFAOYSA-N |
| INCHI | 1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H |
| Isomères SMILES | C1=CC(=CC=C1[N+](=O)[O-])[N+](=O)[O-] |
| WGK Allemagne | 3 |
| RTECS | CZ7525000 |
| Numéro ONU | 3443 |
| Groupe d'emballage | II |
| Poids moléculaire | 168.11 |
| Beilstein | 1105828 |
| Reaxy-Rn | 1105828 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1105828&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 |
| Classe | Benzene and substituted derivatives |
| Subclass | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - 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 - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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 | dinitrobenzene |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Article |
|---|---|---|---|
 H2427487 | Certificate of Analysis | Aug 14, 2024 | D100640 |
| H2427488 | Certificate of Analysis | Aug 14, 2024 | D100640 |
| K2411053 | Certificate of Analysis | Aug 14, 2024 | D100640 |
| D2423070 | Certificate of Analysis | Nov 08, 2023 | D100640 |
| F2414081 | Certificate of Analysis | Nov 08, 2023 | D100640 |
| K2320367 | Certificate of Analysis | Nov 08, 2023 | D100640 |
| J2318325 | Certificate of Analysis | Oct 08, 2023 | D100640 |
| J2318326 | Certificate of Analysis | Oct 08, 2023 | D100640 |
| I2312385 | Certificate of Analysis | Aug 25, 2023 | D100640 |
| L2205059 | Certificate of Analysis | Nov 16, 2022 | D100640 |
| L2205060 | Certificate of Analysis | Nov 16, 2022 | D100640 |
| L2205058 | Certificate of Analysis | Nov 16, 2022 | D100640 |
| H2216280 | Certificate of Analysis | May 06, 2021 | D100640 |
| J2116474 | Certificate of Analysis | May 06, 2021 | D100640 |
| K2208092 | Certificate of Analysis | May 06, 2021 | D100640 |
| Solubilité | Soluble in water. (0.8 g/L) at 20°C.;Solubility in Acetonitrile very faint turbidity;alcohol: soluble 1g in 300ml;boiling water: soluble 1g in 555ml;cold water: soluble 1g in 12,500ml;benzene: very slightly soluble;chloroform: very slightly soluble;ethyl |
|---|---|
| Point d'éclair (°F) | 150℃ |
| Point d'éclair (°C) | 150℃ |
| Point d'ébullition (°C) | 299°C |
| Point de fusion (°C) | 174°C |
| Poids moléculaire | 168.110 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 168.017 Da |
| Monoisotopic Mass | 168.017 Da |
| Topological Polar Surface Area | 91.600 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 165.000 |
| 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. Deyi Zhan, Abdul Saeed, Zixuan Li, Chengming Wang, Zhiwu Yu, Junfeng Wang, Nanjing Zhao, Weihong Xu, Jinhuai Liu. (2020) Highly fluorescent scandium-tetracarboxylate frameworks: selective detection of nitro-aromatic compounds, sensing mechanism, and their application. DALTON TRANSACTIONS, 49 (48): (17737-17744). [PMID:33237063] [10.1039/D0DT03781H] |
| 2. Tao Lu, Yuan Yuan, Yan Jiao, Zhining Wen, Lu Wang, Yihuan Zhao, Yuxiang Zhang, Menglong Li, Xuemei Pu, Tao Xu. (2016) Simultaneous spectrophotometric quantification of dinitrobenzene isomers in water samples using multivariate calibration methods. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, [PMID:] [10.1016/j.chemolab.2016.03.022] |
| 3. Xiaoyu Liu, Wenhao Wu, Daohui Lin, Kun Yang. (2024) Linear adsorption of organic compounds on mesoporous activated carbon in bi-solute system. Heliyon, [PMID:38352802] [10.1016/j.heliyon.2024.e25729] |
| 4. Chunyan Liu, Yanjuan Liu, Yuefei Zhang, Wei Chen, Sheng Tang. (2024) Synergistic expression of ZIF-67 and amphiphilic polymer hydrogel in multi-mode liquid chromatographic separation. SEPARATION AND PURIFICATION TECHNOLOGY, [PMID:] [10.1016/j.seppur.2024.127827] |
| 5. Weijie Shang, Yanjie Huang, Yihang Zhang, Ruojia Li, Liping Dai. (2025) Quantification of Fatty Acids from Arctium lappa L. Leaves by 13C qNMR and HPLC-CAD. Journal of Oleo Science, [PMID:40887267] [10.5650/jos.ess25041] |
| 6. Guoxi Deng, Yaotao Huang, Mingxian Liu, Xiaodan Chen, Yuri Lvov. (2026) Aqueous-phase synthesis of Ni2P within clay nanotube lumens for efficient catalytic nitroarene hydrogenation. JOURNAL OF COLLOID AND INTERFACE SCIENCE, [PMID:41581452] [10.1016/j.jcis.2026.139948] |
