3-Fluorophenylacetic acid
3-Fluorophenylacetic acid structure
|
Common Name | 3-Fluorophenylacetic acid | ||
|---|---|---|---|---|
| CAS Number | 331-25-9 | Molecular Weight | 154.138 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 256.1±15.0 °C at 760 mmHg | |
| Molecular Formula | C8H7FO2 | Melting Point | 42-44 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 108.7±20.4 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(3-fluorophenyl)acetic 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 | 256.1±15.0 °C at 760 mmHg |
| Melting Point | 42-44 °C(lit.) |
| Molecular Formula | C8H7FO2 |
| Molecular Weight | 154.138 |
| Flash Point | 108.7±20.4 °C |
| Exact Mass | 154.043015 |
| PSA | 37.30000 |
| LogP | 1.56 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.529 |
| InChIKey | YEAUYVGUXSZCFI-UHFFFAOYSA-N |
| SMILES | O=C(O)Cc1cccc(F)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.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R38 |
| Safety Phrases | S22-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 29163900 |
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 10 | |
|---|---|
| DownStream 10 | |
CAS#:456-48-4
CAS#:455-37-8
CAS#:458-04-8
CAS#:458-45-7![1-[2-(3-Fluorophenyl)ethyl]piperazine 2HCl structure](https://image.chemsrc.com/caspic/486/188400-93-3.png)
CAS#:188400-93-3
CAS#:25017-13-4
CAS#:29640-98-0
CAS#:64123-77-9
CAS#:52059-53-7
CAS#:548771-68-2This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2916399090 |
|---|---|
| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Parallel synthesis of chiral pentaamines and pyrrolidine containing bis-heterocyclic libraries. Multiple scaffolds with multiple building blocks: a double diversity for the identification of new antitubercular compounds.
Bioorg. Med. Chem. Lett. 19(17) , 5169-75, (2009) Combinatorial chemistry offers a unique opportunity for the synthesis and screening of large numbers of compounds and significantly enhances the prospect of finding new drugs. Collaborative efforts wi... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: Tested for inhibition of edema growth in rat
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL788139
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (m-Fluorophenyl)acetic acid |
| QV1R CF |
| (3-Fluorophenyl)acetic acid |
| MFCD00004331 |
| Benzeneacetic acid,3-fluoro |
| 3-fluorophenylethanoic acid |
| 3-Fluorophenlacetic acid |
| 3-fluoro phenyl acetic acid |
| 3-Fluorobenzeneacetic acid |
| 2-(3-Fluorophenyl)acetic Acid |
| 3-Fluorophenylacetic Acid |
| EINECS 206-360-7 |
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 2-(3-fluorophenyl)acetic acid? |
| A: Related downstream products(CAS) of 2-(3-fluorophenyl)acetic acid: 456-48-4;455-37-8;458-04-8;458-45-7;188400-93-3;25017-13-4;29640-98-0;64123-77-9;52059-53-7;548771-68-2. |
| Q: What is the LogP of 2-(3-fluorophenyl)acetic acid? |
| A: LogP of 2-(3-fluorophenyl)acetic acid is 1.56. |
| Q: What is the boiling point of 2-(3-fluorophenyl)acetic acid? |
| A: Boiling point of 2-(3-fluorophenyl)acetic acid is 256.1±15.0 °C at 760 mmHg. |
| Q: What is the English name of 2-(3-fluorophenyl)acetic acid? |
| A: The English name of 2-(3-fluorophenyl)acetic acid is 2-(3-fluorophenyl)acetic acid. |
| Q: What is the melting point of 2-(3-fluorophenyl)acetic acid? |
| A: Melting point of 2-(3-fluorophenyl)acetic acid is 42-44 °C(lit.). |
| Q: What is the molecular weight of 2-(3-fluorophenyl)acetic acid? |
| A: Molecular weight of 2-(3-fluorophenyl)acetic acid is 154.138. |
| Q: What is the polar surface area (PSA) of 2-(3-fluorophenyl)acetic acid? |
| A: Polar surface area (PSA) of 2-(3-fluorophenyl)acetic acid is 37.30000. |
| Q: What is the CAS number of 2-(3-fluorophenyl)acetic acid? |
| A: CAS number of 2-(3-fluorophenyl)acetic acid is 331-25-9. |
| Q: What are the upstream materials of 2-(3-fluorophenyl)acetic acid? |
| A: Related upstream materials(CAS) of 2-(3-fluorophenyl)acetic acid: 201230-82-2;456-42-8;372-20-3;75-36-5;352-70-5;501-00-8;6929-49-3;455-38-9;1711-07-5;456-41-7. |
| Q: What English synonyms does 2-(3-fluorophenyl)acetic acid have? |
| A: English synonyms of 2-(3-fluorophenyl)acetic acid: (m-Fluorophenyl)acetic acid, QV1R CF, (3-Fluorophenyl)acetic acid, MFCD00004331, Benzeneacetic acid,3-fluoro, 3-fluorophenylethanoic acid, 3-Fluorophenlacetic acid, 3-fluoro phenyl acetic acid, 3-Fluorobenzeneacetic acid, 2-(3-Fluorophenyl)acetic Acid, 3-Fluorophenylacetic Acid, EINECS 206-360-7. |
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. |