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3-(3,4-Dichlorophenyl)propionic acid

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Name

3-(3,4-Dichlorophenyl)propionic acid

EINECS N/A
CAS No. 25173-68-6 Density 1.392 g/cm3
PSA 37.30000 LogP 3.01060
Solubility N/A Melting Point 97 °C
Formula C9H8Cl2O2 Boiling Point 339.2 °C at 760 mmHg
Molecular Weight 219.067 Flash Point 158.9 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 25173-68-6 (3-(3,4-DICHLOROPHENYL)PROPIONIC ACID) Hazard Symbols IrritantXi
Synonyms

Hydrocinnamicacid, 3,4-dichloro- (6CI,7CI,8CI);3,4-Dichloro-b-phenylpropionic acid;3-(3,4-Dichlorophenyl)propanoicacid;3-(3,4-Dichlorophenyl)propionic acid;b-(3,4-Dichlorophenyl)propionic acid;

Article Data 5

3-(3,4-Dichlorophenyl)propionic acid Specification

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

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