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3-(Trifluoromethoxy)benzoic acid ethyl ester

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Name

3-(Trifluoromethoxy)benzoic acid ethyl ester

EINECS N/A
CAS No. 677713-01-8 Density 1.271 g/cm3
PSA 35.53000 LogP 2.76190
Solubility N/A Melting Point N/A
Formula C10H9F3O3 Boiling Point 224.3 °C at 760 mmHg
Molecular Weight 234.175 Flash Point 87.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 677713-01-8 (3-(Trifluoromethoxy)benzoic acid ethyl ester) Hazard Symbols N/A
Synonyms

Ethyl 3-(trifluoromethoxy)benzoate;3-(Trifluoromethoxy)benzoic acid ethyl ester;

Article Data 5

3-(Trifluoromethoxy)benzoic acid ethyl ester Specification

The Benzoicacid, 3-(trifluoromethoxy)-, ethyl ester, with the CAS registry number 677713-01-8, is also known as 3-(Trifluoromethoxy)benzoic acid ethyl ester. This chemical's molecular formula is C10H9F3O3 and molecular weight is 234.17. What's more, its systematic name is Ethyl 3-(trifluoromethoxy)benzoate.

Physical properties of Benzoicacid, 3-(trifluoromethoxy)-, ethyl ester are: (1)ACD/LogP: 3.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.65; (4)ACD/LogD (pH 7.4): 3.65; (5)ACD/BCF (pH 5.5): 349.56; (6)ACD/BCF (pH 7.4): 349.56; (7)ACD/KOC (pH 5.5): 2302.79; (8)ACD/KOC (pH 7.4): 2302.79; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 49.79 cm3; (15)Molar Volume: 184.2 cm3; (16)Polarizability: 19.74×10-24 cm3; (17)Surface Tension: 30.2 dyne/cm; (18)Density: 1.271 g/cm3; (19)Flash Point: 87.1 °C; (20)Enthalpy of Vaporization: 46.08 kJ/mol; (21)Boiling Point: 224.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0917 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)Oc1cc(ccc1)C(=O)OCC
(2)InChI: InChI=1/C10H9F3O3/c1-2-15-9(14)7-4-3-5-8(6-7)16-10(11,12)13/h3-6H,2H2,1H3
(3)InChIKey: GQDRBQIYYNXADN-UHFFFAOYSA-N

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