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| CAS No.: | 183800-94-4 |
|---|---|
| Name: | 4-(TRIFLUOROMETHOXY)CINNAMIC ALDEHYDE |
| Molecular Structure: | |
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| Formula: | C10H7F3O2 |
| Molecular Weight: | 216.16 |
| Synonyms: | 2-Propenal,3-[4-(trifluoromethoxy)phenyl]-, (E)-;(2E)-3-[4-(Trifluoromethoxy)phenyl]acrylaldehyde;(2E)-3-[4-(Trifluoromethoxy)phenyl]prop-2-enal;4-(Trifluoromethoxy)cinnamic aldehyde; |
| Density: | 1.286 g/cm3 |
| Boiling Point: | 264.635 °C at 760 mmHg |
| Flash Point: | 110.455 °C |
| PSA: | 26.30000 |
| LogP: | 2.79730 |
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Specification
The 2-Propenal,3-[4-(trifluoromethoxy)phenyl]-, (2E)-, with the CAS registry number 183800-94-4, is also known as (2E)-3-[4-(Trifluoromethoxy)phenyl]acrylaldehyde. This chemical's molecular formula is C10H7F3O2 and molecular weight is 216.16. What's more, its systematic name is (2E)-3-[4-(Trifluoromethoxy)phenyl]prop-2-enal.
Physical properties of 2-Propenal,3-[4-(trifluoromethoxy)phenyl]-, (2E)- are: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 135; (6)ACD/BCF (pH 7.4): 135; (7)ACD/KOC (pH 5.5): 1163; (8)ACD/KOC (pH 7.4): 1163; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 49.465 cm3; (15)Molar Volume: 168.121 cm3; (16)Polarizability: 19.609×10-24 cm3; (17)Surface Tension: 31.852 dyne/cm; (18)Density: 1.286 g/cm3; (19)Flash Point: 110.455 °C; (20)Enthalpy of Vaporization: 50.252 kJ/mol; (21)Boiling Point: 264.635 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)Oc1ccc(cc1)\C=C\C=O
(2)InChI: InChI=1S/C10H7F3O2/c11-10(12,13)15-9-5-3-8(4-6-9)2-1-7-14/h1-7H/b2-1+
(3)InChIKey: GGNLWQJCNHVNJG-OWOJBTEDSA-N