3-(Furan-2-yl)benzoic acid
3-(Furan-2-yl)benzoic acid structure
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Common Name | 3-(Furan-2-yl)benzoic acid | ||
|---|---|---|---|---|
| CAS Number | 35461-99-5 | Molecular Weight | 188.179 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 366.4±25.0 °C at 760 mmHg | |
| Molecular Formula | C11H8O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 175.4±23.2 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(furan-2-yl)benzoic 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 | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 366.4±25.0 °C at 760 mmHg |
| Molecular Formula | C11H8O3 |
| Molecular Weight | 188.179 |
| Flash Point | 175.4±23.2 °C |
| Exact Mass | 188.047348 |
| PSA | 50.44000 |
| LogP | 3.03 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.582 |
| InChIKey | RQVVFGRDMHDHNI-UHFFFAOYSA-N |
| SMILES | O=C(O)c1cccc(-c2ccco2)c1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2932190090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~%
3-(Furan-2-yl)b... CAS#:35461-99-5 |
| Literature: Chamoin, Sylvie; Houldsworth, Stephen; Snieckus, Victor Tetrahedron Letters, 1998 , vol. 39, # 24 p. 4175 - 4178 |
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~69%
3-(Furan-2-yl)b... CAS#:35461-99-5 |
| Literature: Crisostomo, Fernando Pinacho; Martin, Tomas; Carrillo, Romen Angewandte Chemie - International Edition, 2014 , vol. 53, # 8 p. 2181 - 2185 Angew. Chem., 2014 , vol. 53, # 8 p. 2213 - 2217,5 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| 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: Binding affinity to Keap1 kelch domain (unknown origin) by surface plasmon resonance ...
Source: ChEMBL
Target: Kelch-like ECH-associated protein 1
External Id: CHEMBL5217617
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-(2-Furyl)benzoic acid |
| 3-furan-2-yl-benzoic acid |
| 3-fur-2-ylbenzoic acid |
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 3-(furan-2-yl)benzoic acid? |
| A: Molecular formula of 3-(furan-2-yl)benzoic acid is C11H8O3. |
| Q: What is the boiling point of 3-(furan-2-yl)benzoic acid? |
| A: Boiling point of 3-(furan-2-yl)benzoic acid is 366.4±25.0 °C at 760 mmHg. |
| Q: What is the InChIKey of 3-(furan-2-yl)benzoic acid? |
| A: InChIKey of 3-(furan-2-yl)benzoic acid is RQVVFGRDMHDHNI-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 3-(furan-2-yl)benzoic acid? |
| A: Molecular weight of 3-(furan-2-yl)benzoic acid is 188.179. |
| Q: What is the CAS number of 3-(furan-2-yl)benzoic acid? |
| A: CAS number of 3-(furan-2-yl)benzoic acid is 35461-99-5. |
| Q: What is the polar surface area (PSA) of 3-(furan-2-yl)benzoic acid? |
| A: Polar surface area (PSA) of 3-(furan-2-yl)benzoic acid is 50.44000. |
| Q: What are the upstream materials of 3-(furan-2-yl)benzoic acid? |
| A: Related upstream materials(CAS) of 3-(furan-2-yl)benzoic acid: 110-00-9;99-05-8;118486-94-5;618-51-9. |
| Q: What is the LogP of 3-(furan-2-yl)benzoic acid? |
| A: LogP of 3-(furan-2-yl)benzoic acid is 3.03. |
| Q: What is the SMILES notation of 3-(furan-2-yl)benzoic acid? |
| A: SMILES notation of 3-(furan-2-yl)benzoic acid is O=C(O)c1cccc(-c2ccco2)c1. |
| Q: What English synonyms does 3-(furan-2-yl)benzoic acid have? |
| A: English synonyms of 3-(furan-2-yl)benzoic acid: 3-(2-Furyl)benzoic acid, 3-furan-2-yl-benzoic acid, 3-fur-2-ylbenzoic acid. |
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. |