trans,trans-Bis(4-fluorobenzal)acetone
trans,trans-Bis(4-fluorobenzal)acetone structure
|
Common Name | trans,trans-Bis(4-fluorobenzal)acetone | ||
|---|---|---|---|---|
| CAS Number | 53369-00-9 | Molecular Weight | 270.27300 | |
| Density | 1.221g/cm3 | Boiling Point | 398.6ºC at 760mmHg | |
| Molecular Formula | C17H12F2O | Melting Point | 141-146ºC | |
| MSDS | N/A | Flash Point | 151.8ºC | |
Summary: 1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one (common name: trans,trans-Bis(4-fluorobenzal)acetone), CAS: 53369-00-9, molecular formula: C17H12F2O, molecular weight: 270.27300. Appearance: solid, white to light yellow to green powder or crystal, melting point: 141-146°C, boiling point: 398.6°C. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one |
|---|---|
| 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 | 1.221g/cm3 |
|---|---|
| Boiling Point | 398.6ºC at 760mmHg |
| Melting Point | 141-146ºC |
| Molecular Formula | C17H12F2O |
| Molecular Weight | 270.27300 |
| Flash Point | 151.8ºC |
| Exact Mass | 270.08600 |
| PSA | 17.07000 |
| LogP | 4.26050 |
| Index of Refraction | 1.618 |
| InChIKey | BNHFGYIPXPENKA-YDWXAUTNSA-N |
| SMILES | O=C(C=Cc1ccc(F)cc1)C=Cc1ccc(F)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.
| Hazard Codes | Xi |
|---|---|
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S37/39 |
| HS Code | 2914700090 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
CAS#:459-57-4
CAS#:67-64-1This 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.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| trans,trans-1,5-Bis(4-fluorophenyl)-1,4-pentadien-3-one |
| trans,trans-Bis(4-fluorobenzylidene)acetone |
| trans,trans-Bis(4-fluorobenzal)acetone |
| (1E,4E)-1,5-bis(4-fluorophenyl)-1,4-pentadien-3-one |
| 1,5-[bis(4-fluorophenyl)]-1,4-pentadien-3-one |
| (1E,4E)-1,5-bis(4-fluorophenyl)-1,4-pentadiene-3-one |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one? |
| A: Polar surface area (PSA) of 1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one is 17.07000. |
| Q: What is the SMILES notation of 1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one? |
| A: SMILES notation of 1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one is O=C(C=Cc1ccc(F)cc1)C=Cc1ccc(F)cc1. |
| Q: What is the InChIKey of 1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one? |
| A: InChIKey of 1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one is BNHFGYIPXPENKA-YDWXAUTNSA-N. |
| Q: What is the LogP of 1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one? |
| A: LogP of 1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one is 4.26050. |
| Q: What is the CAS number of 1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one? |
| A: CAS number of 1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one is 53369-00-9. |
| Q: What is the melting point of 1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one? |
| A: Melting point of 1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one is 141-146ºC. |
| Q: What is the molecular formula of 1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one? |
| A: Molecular formula of 1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one is C17H12F2O. |
| Q: What are the upstream materials of 1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one? |
| A: Related upstream materials(CAS) of 1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one: 459-57-4;67-64-1. |
| Q: What is the safety information for 1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one? |
| A: Safety information for 1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one: S26-S37/39. |
| Q: What is the boiling point of 1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one? |
| A: Boiling point of 1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one is 398.6ºC at 760mmHg. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |