Benzoic acid,3-ethoxy-2,4,5-trifluoro- supplier

Name
2,4,5-TRIFLUORO-3-ETHOXY BENZOIC ACID
EINECS
CAS No. 169507-61-3
Article Data1
CAS DataBase
Density 1.419 g/cm³
Solubility
Melting Point
Formula C₉H₇F₃O₃
Boiling Point 297.437 °C at 760 mmHg
Molecular Weight 220.15
Flash Point 133.686 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Ethoxy-2,4,5-trifluorobenzoic acid;2,4,5-Trifluoro-3-ethoxy benzoic acid;
PSA 46.53000
LogP 2.20080

Benzoic acid,3-ethoxy-2,4,5-trifluoro- Specification

The Benzoic acid,3-ethoxy-2,4,5-trifluoro-, with the CAS registry number 169507-61-3, is also known as 2,4,5-Trifluoro-3-ethoxy benzoic acid. This chemical's molecular formula is C₉H₇F₃O₃ and molecular weight is 220.15. What's more, its systematic name is 3-Ethoxy-2,4,5-trifluorobenzoic acid.

Physical properties of Benzoic acid,3-ethoxy-2,4,5-trifluoro- are: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 46.53 Å²; (12)Index of Refraction: 1.485; (13)Molar Refractivity: 44.476 cm³; (14)Molar Volume: 155.101 cm³; (15)Polarizability: 17.632×10^-24cm³; (16)Surface Tension: 38.852 dyne/cm; (17)Density: 1.419 g/cm³; (18)Flash Point: 133.686 °C; (19)Enthalpy of Vaporization: 56.739 kJ/mol; (20)Boiling Point: 297.437 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25°C.

Preparation: this chemical can be prepared by iodoethane and 3-ethoxy-2,4,5-trifluoro-benzoic acid ethyl ester at the ambient temperature. This reaction will need reagent 1.0 N aq. NaOH and solvent methanol with the reaction time of 3 hours. The yield is about 79%.

Benzoic acid,3-ethoxy-2,4,5-trifluoro- can be prepared by iodoethane and 3-ethoxy-2,4,5-trifluoro-benzoic acid ethyl ester at the ambient temperature

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(cc(F)c(F)c1OCC)C(=O)O
(2)InChI: InChI=1S/C9H7F3O3/c1-2-15-8-6(11)4(9(13)14)3-5(10)7(8)12/h3H,2H2,1H3,(H,13,14)
(3)InChIKey: HXAPHOPNZQFBEJ-UHFFFAOYSA-N

Product Name

2,4,5-TRIFLUORO-3-ETHOXY BENZOIC ACID

Benzoic acid,3-ethoxy-2,4,5-trifluoro- Specification

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