4-(Trifluoromethyl)phenyl acetate supplier

Name
4-(Trifluoromethyl)phenyl acetate
EINECS
CAS No. 78950-29-5
Article Data11
CAS DataBase
Density 1.271 g/cm³
Solubility
Melting Point
Formula C₉H₇F₃O₂
Boiling Point 207.2 °C at 760 mmHg
Molecular Weight 204.149
Flash Point 68.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Phenol,4-(trifluoromethyl)-, acetate (9CI);p-(Trifluoromethyl)phenyl acetate;4-(Trifluoromethyl)phenyl acetate;
PSA 26.30000
LogP 2.63070

4-(Trifluoromethyl)phenyl acetate Specification

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 C₉H₇F₃O₂and 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^-24_cm3; (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

Product Name

4-(Trifluoromethyl)phenyl acetate

4-(Trifluoromethyl)phenyl acetate Specification

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