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| CAS No.: | 64379-91-5 |
|---|---|
| Name: | TRANS-3-(TRIFLUOROMETHYL)CINNAMOYL CHLORIDE |
| Article Data: | 24 |
| Molecular Structure: | |
|
|
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| Formula: | C10H6ClF3O |
| Molecular Weight: | 234.605 |
| Synonyms: | 2-Propenoylchloride, 3-[3-(trifluoromethyl)phenyl]-, (E)-;(E)-3-Trifluoromethylcinnamoylchloride;trans-3-(Trifluoromethyl)cinnamic acid chloride;trans-3-(Trifluoromethyl)cinnamoyl chloride;trans-3-[3-(Trifluoromethyl)phenyl]-2-propenoyl chloride; |
| Density: | 1.36 g/cm3 |
| Melting Point: | 28-31℃ |
| Boiling Point: | 232.9 °C at 760 mmHg |
| Flash Point: | 93.9 °C |
| Hazard Symbols: |
 C, Xn
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| PSA: | 17.07000 |
| LogP: | 3.48400 |
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Specification
The 2-Propenoyl chloride,3-[3-(trifluoromethyl)phenyl]-, (2E)-, with the CAS registry number 64379-91-5, is also known as trans-3-(Trifluoromethyl)cinnamoyl chloride 97%. It belongs to the product categories of Acid Halides; Carbonyl Compounds; Organic Building Blocks. This chemical's molecular formula is C10H6ClF3O and molecular weight is 234.6. Its systematic name is called (2E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride.
Physical properties of 2-Propenoyl chloride,3-[3-(trifluoromethyl)phenyl]-, (2E)-: (1)ACD/LogP: 4.05; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 2; (4)Index of Refraction: 1.515; (5)Molar Refractivity: 52 cm3; (6)Molar Volume: 172.4 cm3; (7)Surface Tension: 32.2 dyne/cm; (8)Density: 1.36 g/cm3; (9)Flash Point: 93.9 °C; (10)Enthalpy of Vaporization: 46.96 kJ/mol; (11)Boiling Point: 232.9 °C at 760 mmHg; (12)Vapour Pressure: 0.0575 mmHg at 25°C.
Uses of 2-Propenoyl chloride,3-[3-(trifluoromethyl)phenyl]-, (2E)-: it can be used to produce 4-[(m-trifluoromethyl)cinnamoyl]-4-azatricyclo[4.3.1.13,8]undecane by heating. This reaction will need solvent ethanol. The yield is about 75%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause damage to health. It also may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(\C=C\C(Cl)=O)c1
(2)InChI: InChI=1/C10H6ClF3O/c11-9(15)5-4-7-2-1-3-8(6-7)10(12,13)14/h1-6H/b5-4+
(3)InChIKey: HGQSKTQYEWJJRZ-SNAWJCMRBV