METHYL 4-(3-THIENYL)BENZOATE
METHYL 4-(3-THIENYL)BENZOATE structure
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Common Name | METHYL 4-(3-THIENYL)BENZOATE | ||
|---|---|---|---|---|
| CAS Number | 20608-91-7 | Molecular Weight | 218.27200 | |
| Density | 1.198g/cm3 | Boiling Point | 310.8ºC at 760mmHg | |
| Molecular Formula | C12H10O2S | Melting Point | 160-164ºC(lit.) | |
| MSDS | Chinese USA | Flash Point | 141.8ºC | |
| Symbol |
GHS05, GHS07 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl 4-thiophen-3-ylbenzoate |
|---|---|
| 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 | 1.198g/cm3 |
|---|---|
| Boiling Point | 310.8ºC at 760mmHg |
| Melting Point | 160-164ºC(lit.) |
| Molecular Formula | C12H10O2S |
| Molecular Weight | 218.27200 |
| Flash Point | 141.8ºC |
| Exact Mass | 218.04000 |
| PSA | 54.54000 |
| LogP | 3.20170 |
| Vapour Pressure | 0.000585mmHg at 25°C |
| Index of Refraction | 1.584 |
| InChIKey | NTBKCEONBLOPPY-UHFFFAOYSA-N |
| SMILES | COC(=O)c1ccc(-c2ccsc2)cc1 |
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 |
GHS05, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302-H318 |
| Precautionary Statements | P280-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn: Harmful; |
| Risk Phrases | 22-41 |
| Safety Phrases | 26-39 |
| RIDADR | NONH for all modes of transport |
| HS Code | 2934999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~98%
METHYL 4-(3-THI... CAS#:20608-91-7 |
| Literature: Leowanawat, Pawaret; Zhang, Na; Resmerita, Ana-Maria; Rosen, Brad M.; Percec, Virgil Journal of Organic Chemistry, 2011 , vol. 76, # 24 p. 9946 - 9955 |
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~97%
METHYL 4-(3-THI... CAS#:20608-91-7 |
| Literature: Leowanawat, Pawaret; Zhang, Na; Resmerita, Ana-Maria; Rosen, Brad M.; Percec, Virgil Journal of Organic Chemistry, 2011 , vol. 76, # 24 p. 9946 - 9955 |
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~%
METHYL 4-(3-THI... CAS#:20608-91-7 |
| Literature: Journal of Organic Chemistry, , vol. 76, # 24 p. 9946 - 9955 |
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~%
METHYL 4-(3-THI... CAS#:20608-91-7 |
| Literature: Journal of Organic Chemistry, , vol. 68, # 11 p. 4189 - 4194 |
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METHYL 4-(3-THI... CAS#:20608-91-7 |
| Literature: Molecules, , vol. 15, # 3 p. 1918 - 1931 |
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METHYL 4-(3-THI... CAS#:20608-91-7 |
| Literature: Synlett, , # 3 p. 295 - 297 |
![Benzoic acid, 4-[(methylsulfonyl)oxy]-, methyl ester structure](https://image.chemsrc.com/caspic/420/161497-18-3.png)
![N-[4-(3-anthracen-9-ylpropoxy)-2-(2,2-methoxyethyl)phenyl]-4-bromobenzamide structure](https://image.chemsrc.com/caspic/321/556809-46-2.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 1 | |
CAS#:160278-20-6This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-(thien-3-yl)benzoic acid methyl ester |
| Methyl 4-(3-thienyl)benzoate |
| Methyl 4-(thien-3-yl)benzoate |
| 4-thiophen-3-yl-benzoic acid methyl ester |
| Methyl 4-(thiophen-3-yl)benzoate |
| MFCD05863312 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the melting point of methyl 4-thiophen-3-ylbenzoate? |
| A: Melting point of methyl 4-thiophen-3-ylbenzoate is 160-164ºC(lit.). |
| Q: What English synonyms does methyl 4-thiophen-3-ylbenzoate have? |
| A: English synonyms of methyl 4-thiophen-3-ylbenzoate: 4-(thien-3-yl)benzoic acid methyl ester, Methyl 4-(3-thienyl)benzoate, Methyl 4-(thien-3-yl)benzoate, 4-thiophen-3-yl-benzoic acid methyl ester, Methyl 4-(thiophen-3-yl)benzoate, MFCD05863312. |
| Q: What is the InChIKey of methyl 4-thiophen-3-ylbenzoate? |
| A: InChIKey of methyl 4-thiophen-3-ylbenzoate is NTBKCEONBLOPPY-UHFFFAOYSA-N. |
| Q: What is the LogP of methyl 4-thiophen-3-ylbenzoate? |
| A: LogP of methyl 4-thiophen-3-ylbenzoate is 3.20170. |
| Q: What are the downstream products of methyl 4-thiophen-3-ylbenzoate? |
| A: Related downstream products(CAS) of methyl 4-thiophen-3-ylbenzoate: 160278-20-6. |
| Q: What is the CAS number of methyl 4-thiophen-3-ylbenzoate? |
| A: CAS number of methyl 4-thiophen-3-ylbenzoate is 20608-91-7. |
| Q: What are the upstream materials of methyl 4-thiophen-3-ylbenzoate? |
| A: Related upstream materials(CAS) of methyl 4-thiophen-3-ylbenzoate: 905966-46-3;338396-06-8;99-76-3;67-56-1;6165-69-1;556809-46-2;619-44-3;619-58-9. |
| Q: What is the polar surface area (PSA) of methyl 4-thiophen-3-ylbenzoate? |
| A: Polar surface area (PSA) of methyl 4-thiophen-3-ylbenzoate is 54.54000. |
| Q: What is the English name of methyl 4-thiophen-3-ylbenzoate? |
| A: The English name of methyl 4-thiophen-3-ylbenzoate is methyl 4-thiophen-3-ylbenzoate. |
| Q: What is the molecular formula of methyl 4-thiophen-3-ylbenzoate? |
| A: Molecular formula of methyl 4-thiophen-3-ylbenzoate is C12H10O2S. |
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. |