3-(Trifluoromethyl)cinnamic acid
3-(Trifluoromethyl)cinnamic acid structure
|
Common Name | 3-(Trifluoromethyl)cinnamic acid | ||
|---|---|---|---|---|
| CAS Number | 779-89-5 | Molecular Weight | 216.157 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 289.6±35.0 °C at 760 mmHg | |
| Molecular Formula | C10H7F3O2 | Melting Point | 135-137 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 129.0±25.9 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(Trifluoromethyl)cinnamic acid |
|---|---|
| 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 | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 289.6±35.0 °C at 760 mmHg |
| Melting Point | 135-137 °C(lit.) |
| Molecular Formula | C10H7F3O2 |
| Molecular Weight | 216.157 |
| Flash Point | 129.0±25.9 °C |
| Exact Mass | 216.039810 |
| PSA | 37.30000 |
| LogP | 3.27 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.526 |
| InChIKey | KSBWHDDGWSYETA-UHFFFAOYSA-N |
| SMILES | O=C(O)C=Cc1cccc(C(F)(F)F)c1 |
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 | Xi:Irritant |
| Risk Phrases | R37/38 |
| Safety Phrases | S26-S37/39-S37 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2916399090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~%
3-(Trifluoromet... CAS#:779-89-5 |
| Literature: WO2008/35381 A2, ; Page/Page column 24 ; |
|
~96%
3-(Trifluoromet... CAS#:779-89-5 |
| Literature: Schweizer, Stephane; Becht, Jean-Michel; Le Drian, Claude Advanced Synthesis and Catalysis, 2007 , vol. 349, # 7 p. 1150 - 1158 |
|
~73%
3-(Trifluoromet... CAS#:779-89-5 |
| Literature: Bijukumar, Gopinathenpillai; Maloyesh, Biswas; Bhaskar, Bhirud Shekhar; Rajendra, Agarwal Synthetic Communications, 2008 , vol. 38, # 10 p. 1512 - 1517 |
|
~%
3-(Trifluoromet... CAS#:779-89-5 |
| Literature: WO2008/58235 A2, ; Page/Page column 22 ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 10 | |
CAS#:585-50-2
CAS#:78573-45-2
CAS#:104774-87-0
CAS#:364782-34-3
CAS#:129254-76-8
CAS#:226256-56-0![(2E)-3-[3-(Trifluoromethyl)phenyl]acrylaldehyde structure](https://image.chemsrc.com/caspic/091/262268-58-6.png)
CAS#:262268-58-6
CAS#:21172-41-8
CAS#:221246-34-0This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2916399090 |
|---|---|
| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
|
Practical synthesis of the calcimimetic agent, cinacalcet. Thiel OR, et al.
Tetrahedron Lett. 49(1) , 13-15, (2008)
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00004393 |
| 3-rifluoromethyl)CinnamicAcid |
| EINECS 212-301-6 |
| m-Trifluoromethyl cinnamic acid |
| 3-[3-(Trifluoromethyl)phenyl]acrylic acid |
| RARECHEM BK HW 0018 |
| MTF-CNA |
| 3-(3-(Trifluoromethyl)phenyl)acrylic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 3-(Trifluoromethyl)cinnamic acid have? |
| A: English synonyms of 3-(Trifluoromethyl)cinnamic acid: MFCD00004393, 3-rifluoromethyl)CinnamicAcid, EINECS 212-301-6, m-Trifluoromethyl cinnamic acid, 3-[3-(Trifluoromethyl)phenyl]acrylic acid, RARECHEM BK HW 0018, MTF-CNA, 3-(3-(Trifluoromethyl)phenyl)acrylic acid. |
| Q: What is the molecular formula of 3-(Trifluoromethyl)cinnamic acid? |
| A: Molecular formula of 3-(Trifluoromethyl)cinnamic acid is C10H7F3O2. |
| Q: What is the InChIKey of 3-(Trifluoromethyl)cinnamic acid? |
| A: InChIKey of 3-(Trifluoromethyl)cinnamic acid is KSBWHDDGWSYETA-UHFFFAOYSA-N. |
| Q: What is the CAS number of 3-(Trifluoromethyl)cinnamic acid? |
| A: CAS number of 3-(Trifluoromethyl)cinnamic acid is 779-89-5. |
| Q: What is the boiling point of 3-(Trifluoromethyl)cinnamic acid? |
| A: Boiling point of 3-(Trifluoromethyl)cinnamic acid is 289.6±35.0 °C at 760 mmHg. |
| Q: What is the SMILES notation of 3-(Trifluoromethyl)cinnamic acid? |
| A: SMILES notation of 3-(Trifluoromethyl)cinnamic acid is O=C(O)C=Cc1cccc(C(F)(F)F)c1. |
| Q: What is the LogP of 3-(Trifluoromethyl)cinnamic acid? |
| A: LogP of 3-(Trifluoromethyl)cinnamic acid is 3.27. |
| Q: What is the polar surface area (PSA) of 3-(Trifluoromethyl)cinnamic acid? |
| A: Polar surface area (PSA) of 3-(Trifluoromethyl)cinnamic acid is 37.30000. |
| Q: What are the downstream products of 3-(Trifluoromethyl)cinnamic acid? |
| A: Related downstream products(CAS) of 3-(Trifluoromethyl)cinnamic acid: 585-50-2;454-89-7;78573-45-2;104774-87-0;364782-34-3;129254-76-8;226256-56-0;262268-58-6;21172-41-8;221246-34-0. |
| Q: What is the molecular weight of 3-(Trifluoromethyl)cinnamic acid? |
| A: Molecular weight of 3-(Trifluoromethyl)cinnamic acid is 216.157. |
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. |
| Zhongshan Xingrui Chemical Co. , Ltd. |
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- Shanghai Nianxing Industrial Co., Ltd
- China
- Product Name: 3-(Trifluoromethyl)cinnamic acid
- Price: Check
- Purity: 99.59%
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- Dayang Chem (Hangzhou) Co., Ltd.
- China
- Product Name: 3-(Trifluoromethyl)cinnamic acid
- Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
- Purity: 98.0%
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- Henan Tianfu Chemical Co., Ltd.
- China
- Product Name: 3-(Trifluoromethyl)cinnamic acid
- Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
- Purity: 99.0%
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- Email: info@tianfuchem.com
- Zhongshan Xingrui Chemical Co. , Ltd.
- China
- Product Name: 3-(Trifluoromethyl)cinnamic acid
- Price: ￥Inquiry/25kg
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Wang Jie
- Email: 3096638339@qq.com
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