4'-Hydroxy-2'-trifluoromethylacetophenone supplier

Name
4'-Hydroxy-2'-trifluoromethylacetophenone
EINECS
CAS No. 220227-53-2
Density 1.335 g/cm³
Solubility
Melting Point
Formula C₉H₇F₃O₂
Boiling Point 305.8 °C at 760 mmHg
Molecular Weight 204.149
Flash Point 138.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-[4-Hydroxy-2-(trifluoromethyl)phenyl]ethanone;1-Acetyl-4-hydroxy-2-(trifluoromethyl)benzene;
PSA 37.30000
LogP 2.61360

4'-Hydroxy-2'-trifluoromethylacetophenone Specification

The Ethanone,1-[4-hydroxy-2-(trifluoromethyl)phenyl]-, with the CAS registry number 220227-53-2, is also known as 1-Acetyl-4-hydroxy-2-(trifluoromethyl)benzene. This chemical's molecular formula is C₉H₇F₃O₂ and molecular weight is 204.15. What's more, its systematic name is 1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone.

Physical properties of Ethanone,1-[4-hydroxy-2-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.28; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 183.21; (6)ACD/BCF (pH 7.4): 69.18; (7)ACD/KOC (pH 5.5): 1441.48; (8)ACD/KOC (pH 7.4): 544.25; (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: 1.476; (14)Molar Refractivity: 43.14 cm³; (15)Molar Volume: 152.9 cm³; (16)Polarizability: 17.1×10^-24cm³; (17)Surface Tension: 32.3 dyne/cm; (18)Density: 1.335 g/cm³; (19)Flash Point: 138.7 °C; (20)Enthalpy of Vaporization: 56.81 kJ/mol; (21)Boiling Point: 305.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000444 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(cc(O)cc1)C(F)(F)F)C
(2)InChI: InChI=1S/C9H7F3O2/c1-5(13)7-3-2-6(14)4-8(7)9(10,11)12/h2-4,14H,1H3
(3)InChIKey: GKBDTFVRRWGDQM-UHFFFAOYSA-N

Product Name

4'-Hydroxy-2'-trifluoromethylacetophenone

4'-Hydroxy-2'-trifluoromethylacetophenone Specification

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