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| CAS No.: | 38233-47-5 |
|---|---|
| Name: | 2,3,4-Trifluoro-5-methoxybenzoic acid |
| Molecular Structure: | |
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| Formula: | C8H5F3O3 |
| Molecular Weight: | 206.121 |
| Synonyms: | benzoic acid, 2,3,4-trifluoro-5-methoxy-; |
| Density: | 1.487 g/cm3 |
| Boiling Point: | 293.08 °C at 760 mmHg |
| Flash Point: | 131.05 °C |
| PSA: | 46.53000 |
| LogP: | 1.81070 |
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Specification
The 2,3,4-Trifluoro-5-methoxybenzoic acid, with the CAS registry number 38233-47-5, is also known as Benzoic acid, 2,3,4-trifluoro-5-methoxy-. This chemical's molecular formula is C8H5F3O3 and molecular weight is 206.12. What's more, its systematic name is 2,3,4-trifluoro-5-methoxybenzoic acid.
Physical properties of 2,3,4-Trifluoro-5-methoxybenzoic acid are: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 46.53 Å2; (11)Index of Refraction: 1.487; (12)Molar Refractivity: 39.843 cm3; (13)Molar Volume: 138.594 cm3; (14)Polarizability: 15.795×10-24 cm3; (15)Surface Tension: 39.497 dyne/cm; (16)Density: 1.487 g/cm3; (17)Flash Point: 131.05 °C; (18)Enthalpy of Vaporization: 56.25 kJ/mol; (19)Boiling Point: 293.08 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Fc1c(F)c(F)c(cc1OC)C(O)=O
(2)InChI: InChI=1/C8H5F3O3/c1-14-4-2-3(8(12)13)5(9)7(11)6(4)10/h2H,1H3,(H,12,13)
(3)InChIKey: CGMSFYATZQKRJY-UHFFFAOYAI