3-(3,4-DICHLOROPHENYL)PROPIONIC ACID

This chemical is called 3-(3,4-Dichlorophenyl)propionic acid, and its CAS registry number is 25173-68-6. With the molecular formula of C₉H₈Cl₂O₂, its molecular weight is 219.06. Additionally, its product category is Aromatic Propionic Acids.

Other characteristics of the 3-(3,4-Dichlorophenyl)propionic acid can be summarised as followings: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 0.08; (5)ACD/BCF (pH 5.5): 9.01; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 86.03; (8)ACD/KOC (pH 7.4): 1.35; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 51.78 cm³; (15)Molar Volume: 157.2 cm³; (16)Polarizability: 20.53×10^-24cm³; (17)Surface Tension: 49.4 dyne/cm; (18)Density: 1.392 g/cm³; (19)Flash Point: 158.9 °C; (20)Enthalpy of Vaporization: 61.49 kJ/mol; (21)Boiling Point: 339.2 °C at 760 mmHg; (22)Vapour Pressure: 3.64E-05 mmHg at 25°C.

Production method of this chemical: The 3-(3,4-Dichlorophenyl)propionic acid could be obtained by the reactant of 3,4-Dichlorzimtsaeure. This reaction needs the reagent of hydrogen, Adam's catalyst, and the pressure of 2585.7. The yield is 100 %.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccc(cc1Cl)CCC(=O)O
2.InChI: InChI=1/C9H8Cl2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)
3.InChIKey: NHYJRLYFKZYPMO-UHFFFAOYAV