3-Ethynylbenzotrifluoride
3-Ethynylbenzotrifluoride structure
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Common Name | 3-Ethynylbenzotrifluoride | ||
|---|---|---|---|---|
| CAS Number | 705-28-2 | Molecular Weight | 170.131 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 162.9±40.0 °C at 760 mmHg | |
| Molecular Formula | C9H5F3 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 44.6±15.3 °C | |
| Symbol |
GHS02, GHS07 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-ethynyl-3-(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 | 162.9±40.0 °C at 760 mmHg |
| Molecular Formula | C9H5F3 |
| Molecular Weight | 170.131 |
| Flash Point | 44.6±15.3 °C |
| Exact Mass | 170.034332 |
| LogP | 2.97 |
| Vapour Pressure | 2.8±0.3 mmHg at 25°C |
| Index of Refraction | 1.467 |
| InChIKey | PAHXLHWOHJTWRU-UHFFFAOYSA-N |
| SMILES | C#Cc1cccc(C(F)(F)F)c1 |
| Storage condition | 2-8°C |
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 | Danger |
| Hazard Statements | H225-H302-H312-H332 |
| Precautionary Statements | P210-P280 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn |
| Risk Phrases | R10;R20/21/22 |
| Safety Phrases | S16-S26-S36-S45 |
| RIDADR | UN 1993 |
| WGK Germany | 3 |
| HS Code | 2903999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This 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 lists relevant public references with title, journal and publication metadata for this compound.
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Parallel solid-phase synthesis of diaryltriazoles.
Beilstein J. Org. Chem. 8 , 1027-36, (2012) A series of substituted diaryltriazoles was prepared by a solid-phase-synthesis protocol using a modified Wang resin. The copper(I)- or ruthenium(II)-catalyzed 1,3-cycloaddition on the polymer bead al... |
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Synthesis, structural analysis, and self-assembly of phenylene ethynylene oligomers and their F, CF3, and CH3 substituted derivatives. Percec S, et al.
J. Polym. Sci. A Polym. Chem. 42(3) , 541-550, (2004)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00467355 |
| 1-Ethynyl-3-(trifluoromethyl)benzene |
| 3-Ethynyl trifluorotoluene |
| 3-Ethynylbenzotrifluoride |
| 3-Ethynyl-a,a,a-trifluorotoluene |
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-ethynyl-3-(trifluoromethyl)benzene? |
| A: Safety information for 1-ethynyl-3-(trifluoromethyl)benzene: S16-S26-S36-S45. |
| Q: What is the molecular weight of 1-ethynyl-3-(trifluoromethyl)benzene? |
| A: Molecular weight of 1-ethynyl-3-(trifluoromethyl)benzene is 170.131. |
| Q: What is the English name of 1-ethynyl-3-(trifluoromethyl)benzene? |
| A: The English name of 1-ethynyl-3-(trifluoromethyl)benzene is 1-ethynyl-3-(trifluoromethyl)benzene. |
| Q: What is the InChIKey of 1-ethynyl-3-(trifluoromethyl)benzene? |
| A: InChIKey of 1-ethynyl-3-(trifluoromethyl)benzene is PAHXLHWOHJTWRU-UHFFFAOYSA-N. |
| Q: What are the storage conditions for 1-ethynyl-3-(trifluoromethyl)benzene? |
| A: Storage conditions for 1-ethynyl-3-(trifluoromethyl)benzene: 2-8°C. |
| Q: What is the boiling point of 1-ethynyl-3-(trifluoromethyl)benzene? |
| A: Boiling point of 1-ethynyl-3-(trifluoromethyl)benzene is 162.9±40.0 °C at 760 mmHg. |
| Q: What is the molecular formula of 1-ethynyl-3-(trifluoromethyl)benzene? |
| A: Molecular formula of 1-ethynyl-3-(trifluoromethyl)benzene is C9H5F3. |
| Q: What is the LogP of 1-ethynyl-3-(trifluoromethyl)benzene? |
| A: LogP of 1-ethynyl-3-(trifluoromethyl)benzene is 2.97. |
| Q: What English synonyms does 1-ethynyl-3-(trifluoromethyl)benzene have? |
| A: English synonyms of 1-ethynyl-3-(trifluoromethyl)benzene: MFCD00467355, 1-Ethynyl-3-(trifluoromethyl)benzene, 3-Ethynyl trifluorotoluene, 3-Ethynylbenzotrifluoride, 3-Ethynyl-a,a,a-trifluorotoluene. |
| Q: What is the CAS number of 1-ethynyl-3-(trifluoromethyl)benzene? |
| A: CAS number of 1-ethynyl-3-(trifluoromethyl)benzene is 705-28-2. |
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. |