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CAS No.: | 41917-83-3 |
---|---|
Name: | 3-(4-Trifluoromethylphenyl)propenal |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C10H7F3O |
Molecular Weight: | 200.16 |
Synonyms: | (E)-3-[4-(Trifluoromethyl)phenyl]prop-2-enal; |
Density: | 1.241 g/cm3 |
Boiling Point: | 246.7 °C at 760 mmHg |
Flash Point: | 103.6 °C |
Hazard Symbols: | Xn |
PSA: | 17.07000 |
LogP: | 2.91750 |
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The 3-(4-Trifluoromethylphenyl)propenal, with the CAS registry number of 41917-83-3, is also known as (2E)-3-[4-(trifluoromethyl)phenyl]prop-2-enal. This chemical's molecular formula is C10H7F3O and molecular weight is 200.1571896. What's more, its IUPAC name is (E)-3-[4-(Trifluoromethyl)phenyl]prop-2-enal. This chemical may cause damage to health.
Physical properties about 3-(4-Trifluoromethylphenyl)propenal are: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 129.17; (6)ACD/BCF (pH 7.4): 129.17; (7)ACD/KOC (pH 5.5): 1129.24; (8)ACD/KOC (pH 7.4): 1129.24; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 47.3 cm3; (15)Molar Volume: 161.2 cm3; (16)Surface Tension: 29.6 dyne/cm; (17)Density: 1.241 g/cm3; (18)Flash Point: 103.6 °C; (19)Enthalpy of Vaporization: 48.38 kJ/mol; (20)Boiling Point: 246.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0268 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1ccc(\C=C\C=O)cc1
(2) InChI: InChI=1/C10H7F3O/c11-10(12,13)9-5-3-8(4-6-9)2-1-7-14/h1-7H/b2-1+
(3) InChIKey: HYCDCKWWJCPUNT-OWOJBTEDBQ