4-Bromoimidazole
4-Bromoimidazole structure
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Common Name | 4-Bromoimidazole | ||
|---|---|---|---|---|
| CAS Number | 2302-25-2 | Molecular Weight | 146.97 | |
| Density | 1.9±0.1 g/cm3 | Boiling Point | 324.7±15.0 °C at 760 mmHg | |
| Molecular Formula | C3H3BrN2 | Melting Point | 131-135 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 150.2±20.4 °C | |
| Symbol |
GHS06 |
Signal Word | Danger | |
Use of 4-Bromoimidazole4-Bromo-1H-imidazole 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 | 5-bromo-1H-imidazole |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 4-Bromo-1H-imidazole is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
|---|---|
| Related Catalog | |
| In Vitro | 用作有机合成、农药、医药、染料等领域的重要原料中间体 |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.9±0.1 g/cm3 |
|---|---|
| Boiling Point | 324.7±15.0 °C at 760 mmHg |
| Melting Point | 131-135 °C(lit.) |
| Molecular Formula | C3H3BrN2 |
| Molecular Weight | 146.97 |
| Flash Point | 150.2±20.4 °C |
| Exact Mass | 145.947952 |
| PSA | 28.68000 |
| LogP | 0.97 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.602 |
| InChIKey | FHZALEJIENDROK-UHFFFAOYSA-N |
| SMILES | Brc1cnc[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
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301-H315-H319-H335 |
| Precautionary Statements | P261-P301 + P310-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges |
| Hazard Codes | T:Toxic; |
| Risk Phrases | R25;R36/37/38 |
| Safety Phrases | S26-S36-S45-S37/39-S28A |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | NI3517450 |
| Hazard Class | 6.1 |
| HS Code | 2933290090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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4-Bromoimidazole CAS#:2302-25-2 |
| Literature: Palmer, Brian D.; Denny, William A. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1989 , p. 95 - 99 |
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4-Bromoimidazole CAS#:2302-25-2 |
| Literature: Journal of the Chemical Society, , vol. 121, p. 952 |
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4-Bromoimidazole CAS#:2302-25-2
Learn More
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| Literature: Advanced Synthesis and Catalysis, , vol. 355, # 2-3 p. 499 - 507 |
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4-Bromoimidazole CAS#:2302-25-2 |
| Literature: Journal of the Chemical Society, , vol. 121, p. 952 |
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4-Bromoimidazole CAS#:2302-25-2 |
| Literature: Journal of the Chemical Society, , vol. 121, p. 952 |
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4-Bromoimidazole CAS#:2302-25-2 |
| Literature: Journal of the Chemical Society, , vol. 123, p. 627,628 |
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4-Bromoimidazole CAS#:2302-25-2
Learn More
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| Literature: Journal of the Chemical Society, , vol. 121, p. 952 |
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4-Bromoimidazole CAS#:2302-25-2 |
| Literature: Journal of the Chemical Society, , vol. 121, p. 952 |
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Detail
Learn More
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| Literature: Journal of the Chemical Society, , vol. 121, p. 952 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 10 | |
CAS#:106848-38-8
CAS#:132430-59-2
CAS#:76-84-6
CAS#:87941-55-7
CAS#:51746-85-1
CAS#:35512-29-9
CAS#:6963-65-1
CAS#:670-95-1
CAS#:13189-13-4
CAS#:25676-75-9This 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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Crystal structure of 4-bromo-1H-imidazole, at 200 K, C3H3BrN2. Hosten EC and Betz R.
Zeitsch. für Kristall. 230(1) , 27-28, (2015)
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Efficient synthesis of DNA containing the guanine oxidation-nitration product 5-guanidino-4-nitroimidazole: Generation by a postsynthetic substitution reaction. Neeley WL, et al.
Org. Lett. 6(2) , 245-248, (2004)
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Palladium-catalyzed amination of unprotected five-membered heterocyclic bromides. Su M, et al.
Org. Lett. 16(3) , 832-835, (2014)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Experimentally measured binding affinity data (Kd) for protein-ligand complexes deriv...
Source: Shanghai Institute of Organic Chemistry
Target: N/A
External Id: PDBbind-Kd for protein-ligand complexes
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Name: Binding affinity to Enterobacteria phage T4 lysozyme L99A/M102H double mutant express...
Source: ChEMBL
Target: Endolysin
External Id: CHEMBL2330736
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Imidazole,4-bromo |
| 1H-Imidazole,4-bromo |
| 4-Bromoimidazole |
| 4-Bromo-1H-imidazol |
| MFCD00047021 |
| 3kqm |
| 4-Bromo-1H-imidazole |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of 5-bromo-1H-imidazole? |
| A: Related downstream products(CAS) of 5-bromo-1H-imidazole: 106848-38-8;132430-59-2;76-84-6;87941-55-7;51746-85-1;35512-29-9;6963-65-1;670-95-1;13189-13-4;25676-75-9. |
| Q: What English synonyms does 5-bromo-1H-imidazole have? |
| A: English synonyms of 5-bromo-1H-imidazole: Imidazole,4-bromo, 1H-Imidazole,4-bromo, 4-Bromoimidazole, 4-Bromo-1H-imidazol, MFCD00047021, 3kqm, 4-Bromo-1H-imidazole. |
| Q: What is the polar surface area (PSA) of 5-bromo-1H-imidazole? |
| A: Polar surface area (PSA) of 5-bromo-1H-imidazole is 28.68000. |
| Q: What is the boiling point of 5-bromo-1H-imidazole? |
| A: Boiling point of 5-bromo-1H-imidazole is 324.7±15.0 °C at 760 mmHg. |
| Q: What is the safety information for 5-bromo-1H-imidazole? |
| A: Safety information for 5-bromo-1H-imidazole: S26-S36-S45-S37/39-S28A. |
| Q: What is the SMILES notation of 5-bromo-1H-imidazole? |
| A: SMILES notation of 5-bromo-1H-imidazole is Brc1cnc[nH]1. |
| Q: What is the melting point of 5-bromo-1H-imidazole? |
| A: Melting point of 5-bromo-1H-imidazole is 131-135 °C(lit.). |
| Q: What is the InChIKey of 5-bromo-1H-imidazole? |
| A: InChIKey of 5-bromo-1H-imidazole is FHZALEJIENDROK-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 5-bromo-1H-imidazole? |
| A: Molecular weight of 5-bromo-1H-imidazole is 146.97. |
| Q: What are the uses of 5-bromo-1H-imidazole? |
| A: Main uses of 5-bromo-1H-imidazole: 4-Bromo-1H-imidazole is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
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. |