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| CAS No.: | 155814-20-3 |
|---|---|
| Name: | 3,5-BIS(TRIFLUOROMETHYL)CINNAMIC ACID |
| Molecular Structure: | |
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| Formula: | C11H6F6O2 |
| Molecular Weight: | 284.158 |
| Synonyms: | 2-Propenoicacid, 3-[3,5-bis(trifluoromethyl)phenyl]-, (E)-;trans-3,5-Bis(trifluoromethyl)cinnamic acid;(2E)-3-[3,5-Bis(trifluoromethyl)phenyl]prop-2-enoic acid; |
| Density: | 1.479 g/cm3 |
| Melting Point: | 166-169 °C |
| Boiling Point: | 273.9 °C at 760 mmHg |
| Flash Point: | 119.5 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 37.30000 |
| LogP: | 3.82200 |
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Specification
The 2-Propenoic acid,3-[3,5-bis(trifluoromethyl)phenyl]-, (2E)-, with the CAS registry number 155814-20-3, is also known as trans-3,5-Bis(trifluoromethyl)cinnamic acid. It belongs to the product categories of C11 to C12; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C11H6F6O2 and molecular weight is 284.15. What's more, its systematic name is (2E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enoic acid. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. What's more, it should be protected from oxidants and bases.
Physical properties of 2-Propenoic acid,3-[3,5-bis(trifluoromethyl)phenyl]-, (2E)- are: (1)ACD/LogP: 4.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 11.85; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 53.58; (8)ACD/KOC (pH 7.4): 1.72; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 53.66 cm3; (15)Molar Volume: 192 cm3; (16)Polarizability: 21.27×10-24cm3; (17)Surface Tension: 29.1 dyne/cm; (18)Density: 1.479 g/cm3; (19)Flash Point: 119.5 °C; (20)Enthalpy of Vaporization: 54.12 kJ/mol; (21)Boiling Point: 273.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00271 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)\C=C\C(=O)O
(2)InChI: InChI=1S/C11H6F6O2/c12-10(13,14)7-3-6(1-2-9(18)19)4-8(5-7)11(15,16)17/h1-5H,(H,18,19)/b2-1+
(3)InChIKey: IZKCKOPHMWHBHR-OWOJBTEDSA-N