Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | N/A | |
Synonyms |
Ethyl 3-(trifluoromethoxy)benzoate;3-(Trifluoromethoxy)benzoic acid ethyl ester; |
Article Data | 5 |
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