2-(Trifluoroacetyl)thiophene
2-(Trifluoroacetyl)thiophene structure
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Common Name | 2-(Trifluoroacetyl)thiophene | ||
|---|---|---|---|---|
| CAS Number | 651-70-7 | Molecular Weight | 180.14800 | |
| Density | 1.403 | Boiling Point | 163ºC | |
| Molecular Formula | C6H3F3OS | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 138 °F | |
| Symbol |
GHS02, GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(Trifluoroacetyl)thiophene |
|---|---|
| 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 | 1.403 |
|---|---|
| Boiling Point | 163ºC |
| Molecular Formula | C6H3F3OS |
| Molecular Weight | 180.14800 |
| Flash Point | 138 °F |
| Exact Mass | 179.98600 |
| PSA | 45.31000 |
| LogP | 2.49310 |
| Index of Refraction | n20/D 1.486(lit.) |
| InChIKey | CZYKJGCKVBXLGF-UHFFFAOYSA-N |
| SMILES | O=C(c1cccs1)C(F)(F)F |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS02, GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H226-H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36 |
| RIDADR | UN 1993 3/PG 3 |
| Packaging Group | III |
| HS Code | 2934999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~%
2-(Trifluoroace... CAS#:651-70-7 |
| Literature: US7425643 B1, ; Page/Page column 19 ; |
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~54%
2-(Trifluoroace... CAS#:651-70-7
Learn More
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| Literature: Journal of Organic Chemistry, , vol. 52, # 22 p. 5026 - 5030 |
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~81%
2-(Trifluoroace... CAS#:651-70-7
Detail
Learn More
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| Literature: Journal of Fluorine Chemistry, , vol. 56, # 2 p. 215 - 237 |
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~81%
2-(Trifluoroace... CAS#:651-70-7
Learn More
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| Literature: Journal of Fluorine Chemistry, , vol. 56, # 2 p. 215 - 237 |
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~77%
2-(Trifluoroace... CAS#:651-70-7 |
| Literature: Prakash, G.K. Surya; Hu, Jinbo; Alauddin, Mian M.; Conti, Peter S.; Olah, George A. Journal of Fluorine Chemistry, 2003 , vol. 121, # 2 p. 239 - 243 |
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~%
2-(Trifluoroace... CAS#:651-70-7 |
| Literature: Tetrahedron Letters, , vol. 21, p. 2129 - 2132 |
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~%
2-(Trifluoroace... CAS#:651-70-7 |
| Literature: Tetrahedron, , vol. 36, p. 2505 - 2512 |
|
~%
2-(Trifluoroace... CAS#:651-70-7 |
| Literature: Tetrahedron Letters, , vol. 32, # 18 p. 2003 - 2004 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 2 | |
CAS#:13669-05-1This 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 lists relevant public references with title, journal and publication metadata for this compound.
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Arabidopsis thaliana: a novel biocatalyst for asymmetric reductions.
Plant Biotechnol. 28(1) , 77-82, (2011)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: In vitro cytotoxic activity against human salivary gland tumor (HSG) cells.
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL695228
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Name: In vitro cytotoxic activity against human gingival fibroblasts (HGF).
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL690261
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Name: In vitro inhibitory activity evaluated against Helicobacter pylori (HP)
Source: ChEMBL
Target: Helicobacter pylori
External Id: CHEMBL693570
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Name: In vitro cytotoxic activity against human squamous cell carcinoma (HSC-2) cells.
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL695064
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2,2,2-trifluoro-1-thiophen-2-ylethanone |
| MFCD00041427 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 2-(Trifluoroacetyl)thiophene have? |
| A: English synonyms of 2-(Trifluoroacetyl)thiophene: 2,2,2-trifluoro-1-thiophen-2-ylethanone, MFCD00041427. |
| Q: What are the upstream materials of 2-(Trifluoroacetyl)thiophene? |
| A: Related upstream materials(CAS) of 2-(Trifluoroacetyl)thiophene: 188290-36-0;383-63-1;5713-61-1;5271-67-0;98-88-4;243845-57-0;1547-87-1;1546-79-8;407-25-0. |
| Q: What are the downstream products of 2-(Trifluoroacetyl)thiophene? |
| A: Related downstream products(CAS) of 2-(Trifluoroacetyl)thiophene: 13669-05-1;243845-57-0. |
| Q: What is the molecular weight of 2-(Trifluoroacetyl)thiophene? |
| A: Molecular weight of 2-(Trifluoroacetyl)thiophene is 180.14800. |
| Q: What is the English name of 2-(Trifluoroacetyl)thiophene? |
| A: The English name of 2-(Trifluoroacetyl)thiophene is 2-(Trifluoroacetyl)thiophene. |
| Q: What is the CAS number of 2-(Trifluoroacetyl)thiophene? |
| A: CAS number of 2-(Trifluoroacetyl)thiophene is 651-70-7. |
| Q: What is the InChIKey of 2-(Trifluoroacetyl)thiophene? |
| A: InChIKey of 2-(Trifluoroacetyl)thiophene is CZYKJGCKVBXLGF-UHFFFAOYSA-N. |
| Q: What is the safety information for 2-(Trifluoroacetyl)thiophene? |
| A: Safety information for 2-(Trifluoroacetyl)thiophene: S26-S36. |
| Q: What is the LogP of 2-(Trifluoroacetyl)thiophene? |
| A: LogP of 2-(Trifluoroacetyl)thiophene is 2.49310. |
| Q: What is the SMILES notation of 2-(Trifluoroacetyl)thiophene? |
| A: SMILES notation of 2-(Trifluoroacetyl)thiophene is O=C(c1cccs1)C(F)(F)F. |
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. |