2,4-Dinitro-1H-imidazole
2,4-Dinitro-1H-imidazole structure
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Common Name | 2,4-Dinitro-1H-imidazole | ||
|---|---|---|---|---|
| CAS Number | 5213-49-0 | Molecular Weight | 158.07200 | |
| Density | 1.867g/cm3 | Boiling Point | 503.1ºC at 760 mmHg | |
| Molecular Formula | C3H2N4O4 | Melting Point | 263 - 265°C | |
| MSDS | N/A | Flash Point | 258.1ºC | |
Summary: 2,5-Dinitro-1H-imidazole (CAS: 5213-49-0), molecular formula C3H2N4O4, molecular weight 158.07200, appears as a pale yellow to bright yellow solid, with a melting point of 263-265°C. It is widely used in pharmaceutical synthesis, artificial plasma, antibiotic synthesis, and polymer materials. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,5-Dinitro-1H-imidazole |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.867g/cm3 |
|---|---|
| Boiling Point | 503.1ºC at 760 mmHg |
| Melting Point | 263 - 265°C |
| Molecular Formula | C3H2N4O4 |
| Molecular Weight | 158.07200 |
| Flash Point | 258.1ºC |
| Exact Mass | 158.00800 |
| PSA | 120.32000 |
| LogP | 1.27250 |
| Index of Refraction | 1.676 |
| InChIKey | FLDSOXFRYVOGFK-UHFFFAOYSA-N |
| SMILES | O=[N+]([O-])c1cnc([N+](=O)[O-])[nH]1 |
| Storage condition | 20°C |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~92%
2,4-Dinitro-1H-... CAS#:5213-49-0 |
| Literature: Cho, Jin Rai; Kim, Kwang Joo; Cho, Soo Gyeong; Kim, Jeong Kook Journal of Heterocyclic Chemistry, 2002 , vol. 39, # 1 p. 141 - 148 |
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~%
2,4-Dinitro-1H-... CAS#:5213-49-0 |
| Literature: Zwawiak, Justyna; Olender, Dorota; Zwolska, Zofia; Augustynowicz-Kopec, Ewa; Zaprutko, Lucjusz Acta Poloniae Pharmaceutica - Drug Research, 2008 , vol. 65, # 2 p. 229 - 233 |
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~1%
2,4-Dinitro-1H-... CAS#:5213-49-0 |
| Literature: Bulusu, S.; Damavarapu, R.; Autera, J. R.; Behrens, R., Jr.; Minier, L. M.; et al. Journal of Physical Chemistry, 1995 , vol. 99, # 14 p. 5009 - 5015 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 8 | |
CAS#:143073-73-8
CAS#:65902-59-2
CAS#:57531-37-0![7H-Pyrrolo[1,2-a]imidazol-7-one, 5,6-dihydro-2-nitro structure](https://image.chemsrc.com/caspic/005/92922-34-4.png)
CAS#:92922-34-4![3-nitro-7-(trichloromethyl)-6-oxa-1,4-diazabicyclo[3.3.0]octa-2,4-dien e structure](https://image.chemsrc.com/caspic/172/127692-18-6.png)
CAS#:127692-18-6
CAS#:127692-13-1
CAS#:127692-28-8This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Antimicrobial activity against Escherichia coli AB1157 assessed as reduction in colon...
Source: ChEMBL
Target: Escherichia coli
External Id: CHEMBL3231491
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Name: Induction of sensitization to irradiation in Escherichia coli AB1157 under hypoxic co...
Source: ChEMBL
Target: Escherichia coli
External Id: CHEMBL3231490
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Name: Dissociation constant, pKa of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL3231493
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Name: Induction of sensitization to irradiation in Escherichia coli AB1157 under oxic condi...
Source: ChEMBL
Target: Escherichia coli
External Id: CHEMBL3231492
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Imidazole,2,4-dinitro |
| Imidazole,2,5-dinitro |
| KA 121 |
| 2,4-dinitro-1(3)H-imidazole |
| 2,4-DINITRO-1H-IMIDAZOLE |
| 2,5-Dinitroimidazole |
| 2,4-Dinitroimidazole |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 2,5-Dinitro-1H-imidazole? |
| A: Molecular formula of 2,5-Dinitro-1H-imidazole is C3H2N4O4. |
| Q: What English synonyms does 2,5-Dinitro-1H-imidazole have? |
| A: English synonyms of 2,5-Dinitro-1H-imidazole: Imidazole,2,4-dinitro, Imidazole,2,5-dinitro, KA 121, 2,4-dinitro-1(3)H-imidazole, 2,4-DINITRO-1H-IMIDAZOLE, 2,5-Dinitroimidazole, 2,4-Dinitroimidazole. |
| Q: What is the CAS number of 2,5-Dinitro-1H-imidazole? |
| A: CAS number of 2,5-Dinitro-1H-imidazole is 5213-49-0. |
| Q: What is the English name of 2,5-Dinitro-1H-imidazole? |
| A: The English name of 2,5-Dinitro-1H-imidazole is 2,5-Dinitro-1H-imidazole. |
| Q: What are the upstream materials of 2,5-Dinitro-1H-imidazole? |
| A: Related upstream materials(CAS) of 2,5-Dinitro-1H-imidazole: 19182-81-1;3034-38-6. |
| Q: What is the SMILES notation of 2,5-Dinitro-1H-imidazole? |
| A: SMILES notation of 2,5-Dinitro-1H-imidazole is O=[N+]([O-])c1cnc([N+](=O)[O-])[nH]1. |
| Q: What is the melting point of 2,5-Dinitro-1H-imidazole? |
| A: Melting point of 2,5-Dinitro-1H-imidazole is 263 - 265°C. |
| Q: What is the polar surface area (PSA) of 2,5-Dinitro-1H-imidazole? |
| A: Polar surface area (PSA) of 2,5-Dinitro-1H-imidazole is 120.32000. |
| Q: What are the downstream products of 2,5-Dinitro-1H-imidazole? |
| A: Related downstream products(CAS) of 2,5-Dinitro-1H-imidazole: 143073-73-8;24079-73-0;65902-59-2;57531-37-0;92922-34-4;127692-18-6;127692-13-1;127692-28-8. |
| Q: What is the LogP of 2,5-Dinitro-1H-imidazole? |
| A: LogP of 2,5-Dinitro-1H-imidazole is 1.27250. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |