3-Bromo-4-fluoroaniline
3-Bromo-4-fluoroaniline structure
|
Common Name | 3-Bromo-4-fluoroaniline | ||
|---|---|---|---|---|
| CAS Number | 656-64-4 | Molecular Weight | 190.013 | |
| Density | 1.7±0.1 g/cm3 | Boiling Point | 248.8±20.0 °C at 760 mmHg | |
| Molecular Formula | C6H5BrFN | Melting Point | 34-36°C | |
| MSDS | USA | Flash Point | 104.3±21.8 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Bromo-4-fluoroaniline |
|---|---|
| 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 | 1.7±0.1 g/cm3 |
|---|---|
| Boiling Point | 248.8±20.0 °C at 760 mmHg |
| Melting Point | 34-36°C |
| Molecular Formula | C6H5BrFN |
| Molecular Weight | 190.013 |
| Flash Point | 104.3±21.8 °C |
| Exact Mass | 188.958939 |
| PSA | 26.02000 |
| LogP | 2.23 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.597 |
| InChIKey | KOWPUNQBGWIERF-UHFFFAOYSA-N |
| SMILES | Nc1ccc(F)c(Br)c1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | T,Xi |
|---|---|
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36/37/39 |
| RIDADR | UN2811 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2921420090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~93%
3-Bromo-4-fluor... CAS#:656-64-4 |
| Literature: 3-DIMENSIONAL PHARMACEUTICALS, INC. Patent: WO2003/99805 A1, 2003 ; Location in patent: Page 434 ; |
|
~63%
3-Bromo-4-fluor... CAS#:656-64-4 |
| Literature: Austin, William B.; Bilow, Norman; Kelleghan, William J.; Lau, Kreisler S. Y. Journal of Organic Chemistry, 1981 , vol. 46, # 11 p. 2280 - 2286 |
|
~96%
3-Bromo-4-fluor... CAS#:656-64-4 |
| Literature: 3-Dimensional Pharmaceuticals, Inc. Patent: US2004/9995 A1, 2004 ; |
|
~%
3-Bromo-4-fluor... CAS#:656-64-4 |
| Literature: Journal of Organic Chemistry, , vol. 46, # 11 p. 2280 - 2286 |
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~%
3-Bromo-4-fluor... CAS#:656-64-4 |
| Literature: Canadian Journal of Chemistry, , vol. 38, p. 2441 - 2449 |
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~%
3-Bromo-4-fluor... CAS#:656-64-4 |
| Literature: Canadian Journal of Chemistry, , vol. 38, p. 2441 - 2449 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 7 | |
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CAS#:937816-89-2This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2921420090 |
|---|---|
| Summary | HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Chan-Lam from Article : "Open science discovery of potent noncovalent SARS-CoV-2 main...
Source: BindingDB
Target: N/A
External Id: BindingDB_11549_1
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-Bromo-4-fluoroaniline |
| 3-Bromo-4-fluorobenzenamine |
| MFCD03788559 |
| 3-bromo-4-fluorophenylamine |
| 3-Bromo-4-fluoro Aniline |
| benzenamine,3-bromo-4-fluoro |
| 3-bromo-4-fluoroanilne |
| ZR DF CE |
| 3-bromo-4-fluoraniline |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 3-Bromo-4-fluoroaniline? |
| A: Boiling point of 3-Bromo-4-fluoroaniline is 248.8±20.0 °C at 760 mmHg. |
| Q: What is the English name of 3-Bromo-4-fluoroaniline? |
| A: The English name of 3-Bromo-4-fluoroaniline is 3-Bromo-4-fluoroaniline. |
| Q: What is the InChIKey of 3-Bromo-4-fluoroaniline? |
| A: InChIKey of 3-Bromo-4-fluoroaniline is KOWPUNQBGWIERF-UHFFFAOYSA-N. |
| Q: What is the safety information for 3-Bromo-4-fluoroaniline? |
| A: Safety information for 3-Bromo-4-fluoroaniline: S26-S36/37/39. |
| Q: What is the LogP of 3-Bromo-4-fluoroaniline? |
| A: LogP of 3-Bromo-4-fluoroaniline is 2.23. |
| Q: What is the melting point of 3-Bromo-4-fluoroaniline? |
| A: Melting point of 3-Bromo-4-fluoroaniline is 34-36°C. |
| Q: What is the molecular formula of 3-Bromo-4-fluoroaniline? |
| A: Molecular formula of 3-Bromo-4-fluoroaniline is C6H5BrFN. |
| Q: What are the upstream materials of 3-Bromo-4-fluoroaniline? |
| A: Related upstream materials(CAS) of 3-Bromo-4-fluoroaniline: 1007-16-5;701-45-1;7758-19-2;77771-02-9;1072-85-1;452-62-0;13194-71-3. |
| Q: What is the SMILES notation of 3-Bromo-4-fluoroaniline? |
| A: SMILES notation of 3-Bromo-4-fluoroaniline is Nc1ccc(F)c(Br)c1. |
| Q: What is the polar surface area (PSA) of 3-Bromo-4-fluoroaniline? |
| A: Polar surface area (PSA) of 3-Bromo-4-fluoroaniline is 26.02000. |
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. |