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The Propanoic acid,3-(2-fluorophenoxy)-, with the CAS registry number 2967-72-8, is also known as 3-(2-Fluoro-phenoxy)-propionic acid. This chemical's molecular formula is C9H9FO3 and molecular weight is 184.164363. Its IUPAC name is called 3-(2-fluorophenoxy)propanoic acid.
Physical properties of Propanoic acid,3-(2-fluorophenoxy)-: (1)ACD/LogP: 1.63; (2)ACD/LogD (pH 5.5): 0.25; (3)ACD/LogD (pH 7.4): -1.51; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.59; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.514; (12)Molar Refractivity: 43.75 cm3; (13)Molar Volume: 145.2 cm3; (14)Surface Tension: 43.1 dyne/cm; (15)Density: 1.267 g/cm3; (16)Flash Point: 124.6 °C; (17)Enthalpy of Vaporization: 55.06 kJ/mol; (18)Boiling Point: 282.5 °C at 760 mmHg; (19)Vapour Pressure: 0.00158 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-(2-fluorophenoxy)propanenitrile. The yield is about 59%.
Uses of Propanoic acid,3-(2-fluorophenoxy)-: it can be used to produce 8-fluoro-2,3-dihydro-4-H-1-benzopyran-4-one. The yield is about 86%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)OCCC(=O)O)F
(2)InChI: InChI=1S/C9H9FO3/c10-7-3-1-2-4-8(7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12)
(3)InChIKey: HTFQCXHHEIUZPM-UHFFFAOYSA-N