1,3-Butanedione,4,4,4-trifluoro-2-methyl-1-phenyl
1,3-Butanedione,4,4,4-trifluoro-2-methyl-1-phenyl structure
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Common Name | 1,3-Butanedione,4,4,4-trifluoro-2-methyl-1-phenyl | ||
|---|---|---|---|---|
| CAS Number | 322-06-5 | Molecular Weight | 230.18300 | |
| Density | 1.248g/cm3 | Boiling Point | 255.6ºC at 760mmHg | |
| Molecular Formula | C11H9F3O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 88.2ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4,4,4-trifluoro-2-methyl-1-phenylbutane-1,3-dione |
|---|---|
| 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 | 1.248g/cm3 |
|---|---|
| Boiling Point | 255.6ºC at 760mmHg |
| Molecular Formula | C11H9F3O2 |
| Molecular Weight | 230.18300 |
| Flash Point | 88.2ºC |
| Exact Mass | 230.05500 |
| PSA | 34.14000 |
| LogP | 2.63680 |
| Index of Refraction | 1.461 |
| InChIKey | MOOYLYCPAWODGB-UHFFFAOYSA-N |
| SMILES | CC(C(=O)c1ccccc1)C(=O)C(F)(F)F |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2914700090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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1,3-Butanedione... CAS#:322-06-5 |
| Literature: US5756529 A1, ; |
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~26%
1,3-Butanedione... CAS#:322-06-5 |
| Literature: Journal of the Chemical Society - Dalton Transactions, , # 4 p. 643 - 647 |
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1,3-Butanedione... CAS#:322-06-5 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 14, # 1 p. 95 - 98 |
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1,3-Butanedione... CAS#:322-06-5 |
| Literature: Journal of Organic Chemistry, , vol. 76, # 10 p. 3676 - 3683 |
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1,3-Butanedione... CAS#:322-06-5 |
| Literature: Synthesis, , # 1 p. 117 - 120 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
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| DownStream 1 | |
CAS#:769-60-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914700090 |
|---|---|
| Summary | HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% 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 Pseudomonas aeruginosa beta-lactamase AmpC at 2 uM
Source: ChEMBL
Target: Beta-lactamase
External Id: CHEMBL1106175
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4,4,4-Trifluoro-2-methyl-1-phenyl-butane-1,3-dione |
| 2-methyl-1-phenyl-4,4,4-trifluorobutane-1,3-dione |
| 4,4,4-Trifluor-2-methyl-1-phenyl-butan-1,3-dion |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 4,4,4-trifluoro-2-methyl-1-phenylbutane-1,3-dione have? |
| A: English synonyms of 4,4,4-trifluoro-2-methyl-1-phenylbutane-1,3-dione: 4,4,4-Trifluoro-2-methyl-1-phenyl-butane-1,3-dione, 2-methyl-1-phenyl-4,4,4-trifluorobutane-1,3-dione, 4,4,4-Trifluor-2-methyl-1-phenyl-butan-1,3-dion. |
| Q: What is the CAS number of 4,4,4-trifluoro-2-methyl-1-phenylbutane-1,3-dione? |
| A: CAS number of 4,4,4-trifluoro-2-methyl-1-phenylbutane-1,3-dione is 322-06-5. |
| Q: What is the SMILES notation of 4,4,4-trifluoro-2-methyl-1-phenylbutane-1,3-dione? |
| A: SMILES notation of 4,4,4-trifluoro-2-methyl-1-phenylbutane-1,3-dione is CC(C(=O)c1ccccc1)C(=O)C(F)(F)F. |
| Q: What are the downstream products of 4,4,4-trifluoro-2-methyl-1-phenylbutane-1,3-dione? |
| A: Related downstream products(CAS) of 4,4,4-trifluoro-2-methyl-1-phenylbutane-1,3-dione: 769-60-8. |
| Q: What is the boiling point of 4,4,4-trifluoro-2-methyl-1-phenylbutane-1,3-dione? |
| A: Boiling point of 4,4,4-trifluoro-2-methyl-1-phenylbutane-1,3-dione is 255.6ºC at 760mmHg. |
| Q: What is the English name of 4,4,4-trifluoro-2-methyl-1-phenylbutane-1,3-dione? |
| A: The English name of 4,4,4-trifluoro-2-methyl-1-phenylbutane-1,3-dione is 4,4,4-trifluoro-2-methyl-1-phenylbutane-1,3-dione. |
| Q: What is the polar surface area (PSA) of 4,4,4-trifluoro-2-methyl-1-phenylbutane-1,3-dione? |
| A: Polar surface area (PSA) of 4,4,4-trifluoro-2-methyl-1-phenylbutane-1,3-dione is 34.14000. |
| Q: What is the molecular weight of 4,4,4-trifluoro-2-methyl-1-phenylbutane-1,3-dione? |
| A: Molecular weight of 4,4,4-trifluoro-2-methyl-1-phenylbutane-1,3-dione is 230.18300. |
| Q: What are the upstream materials of 4,4,4-trifluoro-2-methyl-1-phenylbutane-1,3-dione? |
| A: Related upstream materials(CAS) of 4,4,4-trifluoro-2-methyl-1-phenylbutane-1,3-dione: 93-55-0;1546-79-8;431-47-0;383-63-1;407-38-5. |
| Q: What is the molecular formula of 4,4,4-trifluoro-2-methyl-1-phenylbutane-1,3-dione? |
| A: Molecular formula of 4,4,4-trifluoro-2-methyl-1-phenylbutane-1,3-dione is C11H9F3O2. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |