3-(phenoxymethyl)benzoic acid
3-(phenoxymethyl)benzoic acid structure
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Common Name | 3-(phenoxymethyl)benzoic acid | ||
|---|---|---|---|---|
| CAS Number | 31719-75-2 | Molecular Weight | 228.24300 | |
| Density | 1.222g/cm3 | Boiling Point | 409.2ºC at 760mmHg | |
| Molecular Formula | C14H12O3 | Melting Point | 118ºC | |
| MSDS | N/A | Flash Point | 158.1ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(phenoxymethyl)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 | 1.222g/cm3 |
|---|---|
| Boiling Point | 409.2ºC at 760mmHg |
| Melting Point | 118ºC |
| Molecular Formula | C14H12O3 |
| Molecular Weight | 228.24300 |
| Flash Point | 158.1ºC |
| Exact Mass | 228.07900 |
| PSA | 46.53000 |
| LogP | 2.96380 |
| Index of Refraction | 1.605 |
| InChIKey | URLYREZIPSJJQU-UHFFFAOYSA-N |
| SMILES | O=C(O)c1cccc(COc2ccccc2)c1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2918990090 |
|---|
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 1 | |
CAS#:28188-41-2
CAS#:108-95-2
CAS#:57928-72-0
CAS#:823-78-9
CAS#:74-96-4
CAS#:20600-29-7![[3-(phenoxymethyl)phenyl]methanol structure](https://image.chemsrc.com/caspic/401/34904-99-9.png)
CAS#:34904-99-9This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918990090 |
|---|---|
| Summary | 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . 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: Inhibition of recombinant Mycobacterium tuberculosis DHFR expressed in Escherichia co...
Source: ChEMBL
Target: Dihydrofolate reductase
External Id: CHEMBL4625598
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-Phenoxymethyl-benzoesaeure |
| 3-phenoxymethyl-benzoic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 3-(phenoxymethyl)benzoic acid? |
| A: SMILES notation of 3-(phenoxymethyl)benzoic acid is O=C(O)c1cccc(COc2ccccc2)c1. |
| Q: What is the polar surface area (PSA) of 3-(phenoxymethyl)benzoic acid? |
| A: Polar surface area (PSA) of 3-(phenoxymethyl)benzoic acid is 46.53000. |
| Q: What is the molecular weight of 3-(phenoxymethyl)benzoic acid? |
| A: Molecular weight of 3-(phenoxymethyl)benzoic acid is 228.24300. |
| Q: What English synonyms does 3-(phenoxymethyl)benzoic acid have? |
| A: English synonyms of 3-(phenoxymethyl)benzoic acid: 3-Phenoxymethyl-benzoesaeure, 3-phenoxymethyl-benzoic acid. |
| Q: What is the LogP of 3-(phenoxymethyl)benzoic acid? |
| A: LogP of 3-(phenoxymethyl)benzoic acid is 2.96380. |
| Q: What is the English name of 3-(phenoxymethyl)benzoic acid? |
| A: The English name of 3-(phenoxymethyl)benzoic acid is 3-(phenoxymethyl)benzoic acid. |
| Q: What is the CAS number of 3-(phenoxymethyl)benzoic acid? |
| A: CAS number of 3-(phenoxymethyl)benzoic acid is 31719-75-2. |
| Q: What are the downstream products of 3-(phenoxymethyl)benzoic acid? |
| A: Related downstream products(CAS) of 3-(phenoxymethyl)benzoic acid: 34904-99-9. |
| Q: What is the molecular formula of 3-(phenoxymethyl)benzoic acid? |
| A: Molecular formula of 3-(phenoxymethyl)benzoic acid is C14H12O3. |
| Q: What are the upstream materials of 3-(phenoxymethyl)benzoic acid? |
| A: Related upstream materials(CAS) of 3-(phenoxymethyl)benzoic acid: 28188-41-2;108-95-2;57928-72-0;823-78-9;74-96-4;20600-29-7. |
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. |