4'-(Trifluoromethyl)acetophenone
4'-(Trifluoromethyl)acetophenone structure
|
Common Name | 4'-(Trifluoromethyl)acetophenone | ||
|---|---|---|---|---|
| CAS Number | 709-63-7 | Molecular Weight | 188.146 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 204.9±0.0 °C at 760 mmHg | |
| Molecular Formula | C9H7F3O | Melting Point | 30-33 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 84.4±0.0 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4'-(Trifluoromethyl)acetophenone |
|---|---|
| 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 | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 204.9±0.0 °C at 760 mmHg |
| Melting Point | 30-33 °C(lit.) |
| Molecular Formula | C9H7F3O |
| Molecular Weight | 188.146 |
| Flash Point | 84.4±0.0 °C |
| Exact Mass | 188.044907 |
| PSA | 17.07000 |
| LogP | 2.63 |
| Vapour Pressure | 0.3±0.4 mmHg at 25°C |
| Index of Refraction | 1.447 |
| InChIKey | HHAISVSEJFEWBZ-UHFFFAOYSA-N |
| SMILES | CC(=O)c1ccc(C(F)(F)F)cc1 |
| Storage condition | Flammables area |
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 |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | F:Flammable |
| Risk Phrases | R11;R36/37/38 |
| Safety Phrases | S26-S36-S37/39-S16 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 29147090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:705-31-7![1-[4-(TrifluoroMethyl)phenyl]ethanol Structure](https://image.chemsrc.com/caspic/262/1737-26-4.png)
CAS#:1737-26-4
CAS#:108-24-7
CAS#:2786-01-8
CAS#:402-43-7
CAS#:75-05-8
CAS#:81290-20-2
CAS#:149104-90-5
CAS#:129946-88-9
CAS#:887144-97-0![(1R)-1-[4-(trifluoromethyl)phenyl]ethanamine structure](https://image.chemsrc.com/caspic/202/578027-35-7.png)
CAS#:578027-35-7
CAS#:362601-71-6
CAS#:496-15-1
CAS#:556110-56-6![2-Bromo-1-[4-(trifluoromethyl)phenyl]ethan-1-one structure](https://image.chemsrc.com/caspic/485/383-53-9.png)
CAS#:383-53-9![2-(bromomethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-dioxolane structure](https://image.chemsrc.com/caspic/484/658680-40-1.png)
CAS#:658680-40-1
CAS#:455-24-3![4-[4-[4-(Trifluoromethyl)phenyl]-2-thiazolyl]-benzenesulfonyl chloride structure](https://image.chemsrc.com/caspic/382/446883-84-7.png)
CAS#:446883-84-7![2,3-bis[4-(trifluoromethyl)phenyl]butane-2,3-diol structure](https://image.chemsrc.com/caspic/323/192198-90-6.png)
CAS#:192198-90-6
CAS#:536-50-5This 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 lists relevant public references with title, journal and publication metadata for this compound.
|
Highly enantioselective addition of dialkylzinc reagents to ketones promoted by titanium tetraisopropoxide. Yus M, et al.
Tetrahedron Asymmetry 13(21) , 2291-93, (2002)
|
|
|
Pulsed source, time resolved phosphorimetry determination of phosphorescence lifetimes. Harbaugh KF, et al.
Anal. Chem. 45(2) , 381-2, (1973)
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4′-(Trifluoromethyl)acetophenone |
| FXFFR DV1 |
| 4'-(Trifluoromethyl)acetophenone |
| 1-[4-(Trifluoromethyl)phenyl]ethan-1-one |
| 1-[4-(Trifluoromethyl)phenyl]ethanone |
| EINECS 211-913-0 |
| MFCD00000401 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 4'-(Trifluoromethyl)acetophenone? |
| A: Boiling point of 4'-(Trifluoromethyl)acetophenone is 204.9±0.0 °C at 760 mmHg. |
| Q: What is the CAS number of 4'-(Trifluoromethyl)acetophenone? |
| A: CAS number of 4'-(Trifluoromethyl)acetophenone is 709-63-7. |
| Q: What is the molecular formula of 4'-(Trifluoromethyl)acetophenone? |
| A: Molecular formula of 4'-(Trifluoromethyl)acetophenone is C9H7F3O. |
| Q: What is the molecular weight of 4'-(Trifluoromethyl)acetophenone? |
| A: Molecular weight of 4'-(Trifluoromethyl)acetophenone is 188.146. |
| Q: What is the polar surface area (PSA) of 4'-(Trifluoromethyl)acetophenone? |
| A: Polar surface area (PSA) of 4'-(Trifluoromethyl)acetophenone is 17.07000. |
| Q: What is the melting point of 4'-(Trifluoromethyl)acetophenone? |
| A: Melting point of 4'-(Trifluoromethyl)acetophenone is 30-33 °C(lit.). |
| Q: What is the LogP of 4'-(Trifluoromethyl)acetophenone? |
| A: LogP of 4'-(Trifluoromethyl)acetophenone is 2.63. |
| Q: What are the upstream materials of 4'-(Trifluoromethyl)acetophenone? |
| A: Related upstream materials(CAS) of 4'-(Trifluoromethyl)acetophenone: 705-31-7;1737-26-4;108-24-7;2786-01-8;402-43-7;75-05-8;81290-20-2;149104-90-5;129946-88-9;887144-97-0. |
| Q: What is the SMILES notation of 4'-(Trifluoromethyl)acetophenone? |
| A: SMILES notation of 4'-(Trifluoromethyl)acetophenone is CC(=O)c1ccc(C(F)(F)F)cc1. |
| Q: What are the storage conditions for 4'-(Trifluoromethyl)acetophenone? |
| A: Storage conditions for 4'-(Trifluoromethyl)acetophenone: Flammables area. |
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. |
| Henan Tianfu Chemical Co., Ltd. |