Products Categories
CAS No.: | 78950-29-5 |
---|---|
Name: | 4-(Trifluoromethyl)phenyl acetate |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C9H7F3O2 |
Molecular Weight: | 204.149 |
Synonyms: | Phenol,4-(trifluoromethyl)-, acetate (9CI);p-(Trifluoromethyl)phenyl acetate;4-(Trifluoromethyl)phenyl acetate; |
Density: | 1.271 g/cm3 |
Boiling Point: | 207.2 °C at 760 mmHg |
Flash Point: | 68.8 °C |
Hazard Symbols: | Xi |
PSA: | 26.30000 |
LogP: | 2.63070 |
What can I do for you?
Get Best Price
The CAS register number of 4-(Trifluoromethyl)phenyl acetate is 78950-29-5. It also can be called as Phenol,4-(trifluoromethyl)-, 1-acetate and the systematic name about this chemical is 4-(trifluoromethyl)phenyl acetate. The molecular formula about this chemical is C9H7F3O2 and molecular weight is 204.15.
Physical properties about 4-(Trifluoromethyl)phenyl acetate are: (1)ACD/LogP: 2.53; (2)ACD/LogD (pH 5.5): 2.53; (3)ACD/LogD (pH 7.4): 2.53; (4)ACD/BCF (pH 5.5): 49.03; (5)ACD/BCF (pH 7.4): 49.03; (6)ACD/KOC (pH 5.5): 564.51; (7)ACD/KOC (pH 7.4): 564.51; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.443; (12)Molar Refractivity: 42.57 cm3; (13)Molar Volume: 160.5 cm3; (14)Polarizability: 16.87x10-24cm3; (15)Surface Tension: 26.9 dyne/cm; (16)Enthalpy of Vaporization: 44.35 kJ/mol; (17)Boiling Point: 207.2 °C at 760 mmHg; (18)Vapour Pressure: 0.228 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(cc1)C(F)(F)F)C
(2)InChI: InChI=1/C9H7F3O2/c1-6(13)14-8-4-2-7(3-5-8)9(10,11)12/h2-5H,1H3
(3)InChIKey: DPPGVFHHZGVZED-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C9H7F3O2/c1-6(13)14-8-4-2-7(3-5-8)9(10,11)12/h2-5H,1H3
(5)Std. InChIKey: DPPGVFHHZGVZED-UHFFFAOYSA-N