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3307-39-9

Basic Information
CAS No.: 3307-39-9
Name: 2-(4-CHLOROPHENOXY) PROPIONIC ACID
Article Data: 67
Molecular Structure:
Molecular Structure of 3307-39-9 (2-(4-CHLOROPHENOXY) PROPIONIC ACID)
Formula: C9H9ClO3
Molecular Weight: 200.622
Synonyms: Propionicacid, 2-(p-chlorophenoxy)- (6CI,7CI,8CI);(RS)-2-(4-Chlorophenoxy)propionicacid;2-(4-CPP);2-(4-Chlorophenoxy)propanoic acid;2-(p-Chlorophenoxy)propionic acid;4-CPP;DL-2-(4-Chlorophenoxy)propionic acid;NSC 70174;a-(4-Chlorophenoxy)propionic acid;
EINECS: 221-991-8
Density: 1.307 g/cm3
Melting Point: 66 °C
Boiling Point: 318.5 °C at 760 mmHg
Flash Point: 146.4 °C
Solubility: 1.475g/L(25 oC)
Hazard Symbols: IrritantXi
PSA: 46.53000
LogP: 2.19190
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Specification

The 2-(4-Chlorophenoxy)propionic acid is an organic compound with the formula C9H9ClO3. The IUPAC name of this chemical is 2-(4-chlorophenoxy)propanoic acid. With the CAS registry number 3307-39-9, it is also named as propanoic acid, 2-(4-chlorophenoxy)-.

Physical properties about 2-(4-Chlorophenoxy)propionic acid are: (1)ACD/LogP: 2.38; (2)ACD/LogD (pH 5.5): 0.03; (3)ACD/LogD (pH 7.4): -1.26; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.09; (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: 35.53 Å2; (12)Index of Refraction: 1.546; (13)Molar Refractivity: 48.61 cm3; (14)Molar Volume: 153.4 cm3; (15)Polarizability: 19.27×10-24cm3; (16)Surface Tension: 45.5 dyne/cm; (17)Density: 1.307 g/cm3; (18)Flash Point: 146.4 °C; (19)Enthalpy of Vaporization: 59.12 kJ/mol; (20)Boiling Point: 318.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00015 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-[2-(4-chloro-phenoxy)-proπonyl]-4-isopropyl-oxazolidin-2-one. This reaction will need reagent H2O, H2O2, LiOH  and solvent tetrahydrofuran. The yield is about 82%.



Uses of 2-(4-Chlorophenoxy)propionic acid: it can be used to produce (-)-(R)-4-methyl-1-[2-(4-chlorophenoxy)-1-oxopropyl]πperidine at temperature of 20 °C. It will need reagent N,N'-dicyclohexylcarbodiimide and solvent CH2Cl2. The yield is about 58%.

 

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(OC(C(=O)O)C)cc1
(2)InChI: InChI=1/C9H9ClO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)
(3)InChIKey: DKHJWWRYTONYHB-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12) CopyCopied
(5)Std. InChIKey: DKHJWWRYTONYHB-UHFFFAOYSA-N