4-Nitroimidazole
4-Nitroimidazole structure
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Common Name | 4-Nitroimidazole | ||
|---|---|---|---|---|
| CAS Number | 3034-38-6 | Molecular Weight | 113.075 | |
| Density | 1.6±0.1 g/cm3 | Boiling Point | 404.8±18.0 °C at 760 mmHg | |
| Molecular Formula | C3H3N3O2 | Melting Point | 303 °C (dec.)(lit.) | |
| MSDS | Chinese USA | Flash Point | 198.6±21.2 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Use of 4-Nitroimidazole4-Nitroimidazole is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-Nitroimidazole |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 4-Nitroimidazole is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
|---|---|
| Related Catalog |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.6±0.1 g/cm3 |
|---|---|
| Boiling Point | 404.8±18.0 °C at 760 mmHg |
| Melting Point | 303 °C (dec.)(lit.) |
| Molecular Formula | C3H3N3O2 |
| Molecular Weight | 113.075 |
| Flash Point | 198.6±21.2 °C |
| Exact Mass | 113.022530 |
| PSA | 74.50000 |
| LogP | -0.08 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.612 |
| InChIKey | VYDWQPKRHOGLPA-UHFFFAOYSA-N |
| SMILES | O=[N+]([O-])c1cnc[nH]1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
MUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302 + H312 + H332-H315-H319-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R22;R36/37/38 |
| Safety Phrases | S26-S36/37-S37/39 |
| RIDADR | 2811 |
| WGK Germany | 3 |
| RTECS | NI7892000 |
| Packaging Group | III |
| Hazard Class | 6.1(b) |
| HS Code | 29332990 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 10 | |
CAS#:288-32-4
CAS#:71100-55-5
CAS#:19182-81-1
CAS#:141-52-6
CAS#:19183-14-3
CAS#:124-41-4
CAS#:40507-59-3
CAS#:105313-65-3
CAS#:5006-68-8
CAS#:1968-28-1
CAS#:3964-18-9
CAS#:117836-30-3
CAS#:30454-76-3
CAS#:3034-41-1
CAS#:3034-42-2
CAS#:30086-17-0
CAS#:5213-49-0This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933290090 |
|---|---|
| Summary | 2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Binding of imidazole, 1-methylimidazole and 4-nitroimidazole to yeast cytochrome c peroxidase (CcP) and the distal histidine mutant, CcP(H52L).
Biochim. Biophys. Acta 1854 , 869-81, (2015) Imidazole, 1-methylimidazole and 4-nitroimidazole bind to yeast cytochrome c peroxidase (yCcP) with apparent equilibrium dissociation constants (KD(app)) of 3.3±0.4, 0.85±0.11, and ~0.2M, respectively... |
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Apolar distal pocket mutants of yeast cytochrome c peroxidase: Binding of imidazole, 1-methylimidazole and 4-nitroimidazole to the triAla, triVal, and triLeu variants.
Biochim. Biophys. Acta 1854 , 919-29, (2015) Imidazole binding to three apolar distal heme pocket mutants of yeast cytochrome c peroxidase (CcP) has been investigated between pH4 and 8. The three CcP variants have Arg-48, Trp-51, and His-52 muta... |
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Analysis of four 5-nitroimidazoles and their corresponding hydroxylated metabolites in egg, processed egg, and chicken meat by isotope dilution liquid chromatography tandem mass spectrometry.
J. Agric. Food Chem. 54(6) , 2018-26, (2006) An isotope dilution liquid chromatography-electrospray ionization-tandem mass spectrometry method is presented for the simultaneous analysis of several 5-nitroimidazole-based veterinary drugs, which a... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Imidazole,4-nitro |
| 4-Nitroglyoxaline |
| 5-NITROIMIDAZOLE |
| 4-Nitro-1H-imidazole |
| 4-nireiimldazole |
| EINECS 221-224-7 |
| 5-Nitro-1H-imidazole |
| 1H-5-Nitroimidazole |
| 4-Nitroimidazole |
| 4-nitro-imidazol |
| MFCD00005196 |
| 4-nitro-1h-imidazol |
| 1H-4(5)-nitroimidazole |
| 4(5)-nitro-1H-imidazole |
| 4-NITRO IMIDAZOLE |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 4-Nitroimidazole? |
| A: CAS number of 4-Nitroimidazole is 3034-38-6. |
| Q: What English synonyms does 4-Nitroimidazole have? |
| A: English synonyms of 4-Nitroimidazole: Imidazole,4-nitro, 4-Nitroglyoxaline, 5-NITROIMIDAZOLE, 4-Nitro-1H-imidazole, 4-nireiimldazole, EINECS 221-224-7, 5-Nitro-1H-imidazole, 1H-5-Nitroimidazole, 4-Nitroimidazole, 4-nitro-imidazol, MFCD00005196, 4-nitro-1h-imidazol, 1H-4(5)-nitroimidazole, 4(5)-nitro-1H-imidazole, 4-NITRO IMIDAZOLE. |
| Q: What is the English name of 4-Nitroimidazole? |
| A: The English name of 4-Nitroimidazole is 4-Nitroimidazole. |
| Q: What are the upstream materials of 4-Nitroimidazole? |
| A: Related upstream materials(CAS) of 4-Nitroimidazole: 288-32-4;71100-55-5;19182-81-1;141-52-6;19183-14-3;124-41-4;40507-59-3. |
| Q: What is the molecular weight of 4-Nitroimidazole? |
| A: Molecular weight of 4-Nitroimidazole is 113.075. |
| Q: What are the uses of 4-Nitroimidazole? |
| A: Main uses of 4-Nitroimidazole: 4-Nitroimidazole is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
| Q: What is the InChIKey of 4-Nitroimidazole? |
| A: InChIKey of 4-Nitroimidazole is VYDWQPKRHOGLPA-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 4-Nitroimidazole? |
| A: SMILES notation of 4-Nitroimidazole is O=[N+]([O-])c1cnc[nH]1. |
| Q: What is the melting point of 4-Nitroimidazole? |
| A: Melting point of 4-Nitroimidazole is 303 °C (dec.)(lit.). |
| Q: What is the boiling point of 4-Nitroimidazole? |
| A: Boiling point of 4-Nitroimidazole is 404.8±18.0 °C at 760 mmHg. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |