5-(3-fluorophenyl)furan-2-carboxylic acid
5-(3-fluorophenyl)furan-2-carboxylic acid structure
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Common Name | 5-(3-fluorophenyl)furan-2-carboxylic acid | ||
|---|---|---|---|---|
| CAS Number | 54022-97-8 | Molecular Weight | 206.17000 | |
| Density | 1.336g/cm3 | Boiling Point | 368.7ºC at 760 mmHg | |
| Molecular Formula | C11H7FO3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 176.8ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-(3-fluorophenyl)furan-2-carboxylic acid |
|---|---|
| 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 | 1.336g/cm3 |
|---|---|
| Boiling Point | 368.7ºC at 760 mmHg |
| Molecular Formula | C11H7FO3 |
| Molecular Weight | 206.17000 |
| Flash Point | 176.8ºC |
| Exact Mass | 206.03800 |
| PSA | 50.44000 |
| LogP | 2.78390 |
| Index of Refraction | 1.562 |
| InChIKey | ZFRKHCKKEAQDIB-UHFFFAOYSA-N |
| SMILES | O=C(O)c1ccc(-c2cccc(F)c2)o1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2932190090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~98%
5-(3-fluorophen... CAS#:54022-97-8 |
| Literature: IRM LLC Patent: WO2005/39496 A2, 2005 ; Location in patent: Page/Page column 59 ; WO 2005/039496 A2 |
|
~96%
5-(3-fluorophen... CAS#:54022-97-8 |
| Literature: Ballard, T. Eric; Wang, Xia; Olekhnovich, Igor; Koerner, Taylor; Seymour, Craig; Salamoun, Joseph; Warthan, Michelle; Hoffman, Paul S.; Macdonald, Timothy L. ChemMedChem, 2011 , vol. 6, # 2 p. 362 - 377 |
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~%
5-(3-fluorophen... CAS#:54022-97-8 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 12 p. 3258 - 3261 |
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~%
5-(3-fluorophen... CAS#:54022-97-8 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 12 p. 3258 - 3261 |
|
~%
5-(3-fluorophen... CAS#:54022-97-8 |
| Literature: Chemical Biology and Drug Design, , vol. 79, # 1 p. 121 - 127 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2932190090 |
|---|---|
| Summary | 2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Agonist activity at human NOR-1 LBD transiently transfected in HEK293T cells assessed...
Source: ChEMBL
Target: Nuclear receptor subfamily 4 group A member 3
External Id: CHEMBL5392241
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|
Name: Agonist activity at human Nurr1 LBD transiently transfected in HEK293T cells assessed...
Source: ChEMBL
Target: Nuclear receptor subfamily 4 group A member 2
External Id: CHEMBL5392237
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|
Name: Agonist activity at human Nurr1 LBD transiently transfected in HEK293T cells incubate...
Source: ChEMBL
Target: Nuclear receptor subfamily 4 group A member 2
External Id: CHEMBL5392236
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|
Name: Agonist activity at human Nur77 LBD transiently transfected in HEK293T cells assessed...
Source: ChEMBL
Target: Nuclear receptor subfamily 4immunitygroup A member 1
External Id: CHEMBL5392233
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-(3-Fluorophenyl)-2-furoic acid |
| 5-(3-fluoro-phenyl)-furan-2-carboxylic acid |
| 5-(3-Fluorphenyl)-2-carboxy-furan |
| 5-(3-Fluorphenyl)-2-furancarbonsaeure |
| 5-m-Fluorphenyl-2-furoinsaeure |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 5-(3-fluorophenyl)furan-2-carboxylic acid? |
| A: The English name of 5-(3-fluorophenyl)furan-2-carboxylic acid is 5-(3-fluorophenyl)furan-2-carboxylic acid. |
| Q: What is the boiling point of 5-(3-fluorophenyl)furan-2-carboxylic acid? |
| A: Boiling point of 5-(3-fluorophenyl)furan-2-carboxylic acid is 368.7ºC at 760 mmHg. |
| Q: What is the CAS number of 5-(3-fluorophenyl)furan-2-carboxylic acid? |
| A: CAS number of 5-(3-fluorophenyl)furan-2-carboxylic acid is 54022-97-8. |
| Q: What is the polar surface area (PSA) of 5-(3-fluorophenyl)furan-2-carboxylic acid? |
| A: Polar surface area (PSA) of 5-(3-fluorophenyl)furan-2-carboxylic acid is 50.44000. |
| Q: What is the SMILES notation of 5-(3-fluorophenyl)furan-2-carboxylic acid? |
| A: SMILES notation of 5-(3-fluorophenyl)furan-2-carboxylic acid is O=C(O)c1ccc(-c2cccc(F)c2)o1. |
| Q: What is the molecular weight of 5-(3-fluorophenyl)furan-2-carboxylic acid? |
| A: Molecular weight of 5-(3-fluorophenyl)furan-2-carboxylic acid is 206.17000. |
| Q: What English synonyms does 5-(3-fluorophenyl)furan-2-carboxylic acid have? |
| A: English synonyms of 5-(3-fluorophenyl)furan-2-carboxylic acid: 5-(3-Fluorophenyl)-2-furoic acid, 5-(3-fluoro-phenyl)-furan-2-carboxylic acid, 5-(3-Fluorphenyl)-2-carboxy-furan, 5-(3-Fluorphenyl)-2-furancarbonsaeure, 5-m-Fluorphenyl-2-furoinsaeure. |
| Q: What is the molecular formula of 5-(3-fluorophenyl)furan-2-carboxylic acid? |
| A: Molecular formula of 5-(3-fluorophenyl)furan-2-carboxylic acid is C11H7FO3. |
| Q: What is the InChIKey of 5-(3-fluorophenyl)furan-2-carboxylic acid? |
| A: InChIKey of 5-(3-fluorophenyl)furan-2-carboxylic acid is ZFRKHCKKEAQDIB-UHFFFAOYSA-N. |
| Q: What is the LogP of 5-(3-fluorophenyl)furan-2-carboxylic acid? |
| A: LogP of 5-(3-fluorophenyl)furan-2-carboxylic acid is 2.78390. |
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. |