1-(Trifluoromethyl)-2-vinylbenzene
1-(Trifluoromethyl)-2-vinylbenzene structure
|
Common Name | 1-(Trifluoromethyl)-2-vinylbenzene | ||
|---|---|---|---|---|
| CAS Number | 395-45-9 | Molecular Weight | 172.147 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 145.2±0.0 °C at 760 mmHg | |
| Molecular Formula | C9H7F3 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 42.2±0.0 °C | |
| Symbol |
GHS02, GHS07 |
Signal Word | Warning | |
Summary: 2-(Trifluoromethyl)styrene, also known as para-trifluoromethylstyrene, with chemical name 1-ethenyl-2-(trifluoromethyl)benzene and common English name 1-(Trifluoromethyl)-2-vinylbenzene, has CAS number 395-45-9. Its molecular formula is C9H7F3, and the molecular weight is 172.147. This compound is a colorless liquid with a boiling point of 145.2±0.0 °C and a density of 1.2±0.1 g/cm3. 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-ethenyl-2-(trifluoromethyl)benzene |
|---|---|
| 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 | 145.2±0.0 °C at 760 mmHg |
| Molecular Formula | C9H7F3 |
| Molecular Weight | 172.147 |
| Flash Point | 42.2±0.0 °C |
| Exact Mass | 172.049988 |
| LogP | 3.67 |
| Vapour Pressure | 6.2±0.2 mmHg at 25°C |
| Index of Refraction | 1.478 |
| InChIKey | VGWWQZSCLBZOGK-UHFFFAOYSA-N |
| SMILES | C=Cc1ccccc1C(F)(F)F |
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 |
GHS02, GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H226-H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi: Irritant; |
| Risk Phrases | R10 |
| Safety Phrases | 16-26-36/37/39 |
| RIDADR | UN 1993 3 |
| Packaging Group | III |
| Hazard Class | 3.2 |
| HS Code | 2903999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~53%
1-(Trifluoromet... CAS#:395-45-9 |
| Literature: Denmark, Scott E.; Butler, Christopher R. Journal of the American Chemical Society, 2008 , vol. 130, # 11 p. 3690 - 3704 |
|
~44%
1-(Trifluoromet... CAS#:395-45-9 |
| Literature: Mesnard, Danielle; Bernadou, Francoise; Miginiac, Leone Journal of Chemical Research, Miniprint, 1981 , # 9 p. 3216 - 3245 |
|
~%
1-(Trifluoromet... CAS#:395-45-9 |
| Literature: Solomon,I.J.; Filler,R. Journal of the American Chemical Society, 1963 , vol. 85, p. 3492 - 3496 |
|
~%
1-(Trifluoromet... CAS#:395-45-9 |
| Literature: Lee, Kyu Hyung; Lee, Byeongno; Lee, Kyu Reon; Yi, Mi Hye; Hur, Nam Hwi Chemical Communications, 2012 , vol. 48, # 37 p. 4414 - 4416 |
|
~%
1-(Trifluoromet... CAS#:395-45-9 |
| Literature: Mesnard, Danielle; Bernadou, Francoise; Miginiac, Leone Journal of Chemical Research, Miniprint, 1981 , # 9 p. 3216 - 3245 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 6 | |
![2-[3-(Trifluoromethyl)phenyl]ethanol structure](https://image.chemsrc.com/caspic/495/455-01-6.png)
CAS#:455-01-6![2-[2-(Trifluoromethyl)phenyl]ethanol structure](https://image.chemsrc.com/caspic/417/94022-96-5.png)
CAS#:94022-96-5
CAS#:376641-58-6
CAS#:21235-72-3This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2903999090 |
|---|---|
| Summary | 2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-(Trifluoromethyl)-2-vinylbenzene |
| EINECS 206-902-2 |
| 2-Trifluoromethylstyrene |
| 2-ethenylbenzotrifluoride |
| 2-trifluorostyrene |
| 2-Vinylbenzotrifluoride |
| MFCD00035984 |
| o-trifluoromethylstyrene |
| 2-CF3-styrene |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the safety information for 1-ethenyl-2-(trifluoromethyl)benzene? |
| A: Safety information for 1-ethenyl-2-(trifluoromethyl)benzene: 16-26-36/37/39. |
| Q: What is the molecular weight of 1-ethenyl-2-(trifluoromethyl)benzene? |
| A: Molecular weight of 1-ethenyl-2-(trifluoromethyl)benzene is 172.147. |
| Q: What are the upstream materials of 1-ethenyl-2-(trifluoromethyl)benzene? |
| A: Related upstream materials(CAS) of 1-ethenyl-2-(trifluoromethyl)benzene: 2627-95-4;392-83-6;79756-81-3;3796-19-8;704-41-6. |
| Q: What is the InChIKey of 1-ethenyl-2-(trifluoromethyl)benzene? |
| A: InChIKey of 1-ethenyl-2-(trifluoromethyl)benzene is VGWWQZSCLBZOGK-UHFFFAOYSA-N. |
| Q: What are the downstream products of 1-ethenyl-2-(trifluoromethyl)benzene? |
| A: Related downstream products(CAS) of 1-ethenyl-2-(trifluoromethyl)benzene: 455-01-6;79756-81-3;94022-96-5;704-41-6;376641-58-6;21235-72-3. |
| Q: What English synonyms does 1-ethenyl-2-(trifluoromethyl)benzene have? |
| A: English synonyms of 1-ethenyl-2-(trifluoromethyl)benzene: 1-(Trifluoromethyl)-2-vinylbenzene, EINECS 206-902-2, 2-Trifluoromethylstyrene, 2-ethenylbenzotrifluoride, 2-trifluorostyrene, 2-Vinylbenzotrifluoride, MFCD00035984, o-trifluoromethylstyrene, 2-CF3-styrene. |
| Q: What is the LogP of 1-ethenyl-2-(trifluoromethyl)benzene? |
| A: LogP of 1-ethenyl-2-(trifluoromethyl)benzene is 3.67. |
| Q: What is the molecular formula of 1-ethenyl-2-(trifluoromethyl)benzene? |
| A: Molecular formula of 1-ethenyl-2-(trifluoromethyl)benzene is C9H7F3. |
| Q: What is the SMILES notation of 1-ethenyl-2-(trifluoromethyl)benzene? |
| A: SMILES notation of 1-ethenyl-2-(trifluoromethyl)benzene is C=Cc1ccccc1C(F)(F)F. |
| Q: What is the CAS number of 1-ethenyl-2-(trifluoromethyl)benzene? |
| A: CAS number of 1-ethenyl-2-(trifluoromethyl)benzene is 395-45-9. |
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. |