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2-(3-Methoxyphenoxy)benzoic acid

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2-(3-Methoxyphenoxy)benzoic acid

EINECS 244-648-4
CAS No. 21905-75-9 Density 1.242 g/cm3
PSA 55.76000 LogP 3.18570
Solubility N/A Melting Point N/A
Formula C14H12O4 Boiling Point 380.1 °C at 760 mmHg
Molecular Weight 244.247 Flash Point 143.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 21905-75-9 (2-(3-Methoxyphenoxy)benzoic acid) Hazard Symbols N/A
Synonyms

2-(3-methoxyphenoxy)benzoic acid;EINECS 244-648-4

Article Data 14

2-(3-Methoxyphenoxy)benzoic acid Specification

This chemical is called 2-(3-Methoxyphenoxy)benzoic acid, and it's also named as benzoic acid, 2-(3-methoxyphenoxy)-. With the molecular formula of C14H12O4, its molecular weight is 244.24. The CAS registry number of this chemical is 21905-75-9.

Other characteristics of the 2-(3-Methoxyphenoxy)benzoic acid can be summarised as followings: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.17; (4)ACD/LogD (pH 7.4): -0.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.11; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 66.3 cm3; (15)Molar Volume: 196.5 cm3; (16)Polarizability: 26.28×10-24cm3; (17)Surface Tension: 47.9 dyne/cm; (18)Density: 1.242 g/cm3; (19)Flash Point: 143.4 °C; (20)Enthalpy of Vaporization: 66.26 kJ/mol; (21)Boiling Point: 380.1 °C at 760 mmHg; (22)Vapour Pressure: 1.87E-06 mmHg at 25°C.

Production method of this chemical: The 2-(3-Methoxyphenoxy)benzoic acid could be obtained by the reactant of 2-(3-methoxyphenoxy)benzonitrile. This reaction needs the reagent of KOH, and the solvents of ethanol and H2O. The yield is 36 %. In addition, this reaction should be taken for18 hours. The other condition is heating.

The 2-(3-Methoxyphenoxy)benzoic acid could be obtained by the reactant of 2-(3-methoxyphenoxy)benzonitrile

Uses of this chemical: The 2-(3-Methoxyphenoxy)benzoic acid could be used to produce the 2-(3-methoxyphenoxy)benzyl alcohol. This reaction needs the reagent of LiAlH4, and the solvents of diethyl ether, tetrahydrofuran. The yield is 97 %. In addition, this reaction should be taken for 4 hours. The other condition is heating.

The 2-(3-Methoxyphenoxy)benzoic acid could be used to produce the 2-(3-methoxyphenoxy)benzyl alcohol

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)c2ccccc2Oc1cc(OC)ccc1
2.InChI: InChI=1/C14H12O4/c1-17-10-5-4-6-11(9-10)18-13-8-3-2-7-12(13)14(15)16/h2-9H,1H3,(H,15,16)
3.InChIKey: SYHDRSQBOSNTHM-UHFFFAOYAU

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