Name: 5-Chloro-2-phenoxyphenylacetic acid
SKU: 70958-20-2

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Basic Information

Molecular Structure:
CAS No.:	70958-20-2
Name:	5-Chloro-2-phenoxyphenylacetic acid
Article Data:	4

Formula:	C₁₄H₁₁ClO₃
Molecular Weight:	262.693
Synonyms:	2-(5-chloro-2-phenoxyphenyl)acetic acid
Density:	1.317 g/cm³
Melting Point:	123-125°C
Boiling Point:	395.1 °C at 760 mmHg
Flash Point:	192.7 °C
Hazard Symbols:	Xi
PSA:	46.53000
LogP:	3.75940

Synthetic route

: 70958-18-8
5-chloro-2-phenoxyacetophenone

: 70958-20-2
5-chloro-2-phenoxyphenylacetic acid

Conditions

Conditions	Yield
Stage #1: 5-chloro-2-phenoxyacetophenone With morpholine; sulfur at 110℃; for 12h; Stage #2: With hydrogenchloride; acetic acid In water for 8h; Reflux;	67.1%
With morpholine; hydrogenchloride; sulfur; acetic acid 1.) reflux, 12 h, 2.) reflux, 8 h; Yield given. Multistep reaction;
Multi-step reaction with 2 steps 1: sulfur / 24 h / Heating 2: KOH / methanol / 72 h / Heating View Scheme

: 70958-19-9
4-[2-(5-chloro-2-phenoxyphenyl)-1-thioxoethyl]morpholine

: 70958-20-2
5-chloro-2-phenoxyphenylacetic acid

Conditions

Conditions	Yield
With potassium hydroxide In methanol for 72h; Heating;

: 2476-37-1
2,5-dichloroacetophenone

: 70958-20-2
5-chloro-2-phenoxyphenylacetic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 63 percent / K2CO3, Cu / 10 h / Heating 2: 1.) morpholine, sulfur, 2.) glacial acetic acid, conc. aq. HCl / 1.) reflux, 12 h, 2.) reflux, 8 h View Scheme
Multi-step reaction with 3 steps 1: phenol, copper / 24 h / 120 - 125 °C 2: sulfur / 24 h / Heating 3: KOH / methanol / 72 h / Heating View Scheme
Multi-step reaction with 2 steps 1.1: potassium carbonate / copper / 10 h / 130 °C 2.1: morpholine; sulfur / 12 h / 110 °C 2.2: 8 h / Reflux View Scheme

: 108-95-2
phenol

(+-)-1-<1-chloro-cyclohexyl>-cyclohexanone-(2): (+-)-1-<1-chloro-cyclohexyl>-cyclohexanone-(2)

: 70958-20-2
5-chloro-2-phenoxyphenylacetic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 63 percent / K2CO3, Cu / 10 h / Heating 2: 1.) morpholine, sulfur, 2.) glacial acetic acid, conc. aq. HCl / 1.) reflux, 12 h, 2.) reflux, 8 h View Scheme

: 139-02-6
sodium phenoxide

2-methoxy-m-phenylene disodium: 2-methoxy-m-phenylene disodium

: 70958-20-2
5-chloro-2-phenoxyphenylacetic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: phenol, copper / 24 h / 120 - 125 °C 2: sulfur / 24 h / Heating 3: KOH / methanol / 72 h / Heating View Scheme

: 108-95-2
phenol

: 70958-20-2
5-chloro-2-phenoxyphenylacetic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: potassium carbonate / copper / 10 h / 130 °C 2.1: morpholine; sulfur / 12 h / 110 °C 2.2: 8 h / Reflux View Scheme

: 67-56-1
methanol

: 70958-20-2
5-chloro-2-phenoxyphenylacetic acid

: 1141493-78-8
(5-chloro-2-phenoxy-phenyl)-acetic acid methyl ester

Conditions

Conditions	Yield
With sulfuric acid at 50℃; for 2h;	98%

: 70958-20-2
5-chloro-2-phenoxyphenylacetic acid

: 55595-54-5
2-chloro-10,11-dihydrodibenzoxepin-10-one

Conditions

Conditions	Yield
With PPA at 100 - 105℃;	61%
With sodium hydroxide; PPA

: 70958-20-2
5-chloro-2-phenoxyphenylacetic acid

: (5-Chloro-2-phenoxy-phenyl)-acetyl chloride

Conditions

Conditions	Yield
With thionyl chloride In toluene Heating;
With thionyl chloride In toluene

: 70958-20-2
5-chloro-2-phenoxyphenylacetic acid

: 57389-06-7
1-[2-chloro-dibenz[b,f]oxepin-10-yl]-4-methyl-piperazine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 61 percent / polyphosphoric acid / 100 - 105 °C 2: 60 percent / TiCl4 / benzene / 4 h / Heating View Scheme

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Specification

This chemical is called 5-Chloro-2-phenoxyphenylacetic acid, and it's also named as 2-(5-Chloro-2-phenoxyphenyl)acetic acid. With the molecular formula of C₁₄H₁₁ClO₃, its molecular weight is 262.69. The CAS registry number of this chemical is 70958-20-2.

Other characteristics of the 5-Chloro-2-phenoxyphenylacetic acid can be summarised as followings: (1)ACD/LogP: 4.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 0.8; (5)ACD/BCF (pH 5.5): 19.37; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 102.22; (8)ACD/KOC (pH 7.4): 2.03; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.53 Å²; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 68.7 cm³; (15)Molar Volume: 199.4 cm³; (16)Polarizability: 27.23×10^-24cm³; (17)Surface Tension: 50.9 dyne/cm; (18)Density: 1.317 g/cm³; (19)Flash Point: 192.7 °C; (20)Enthalpy of Vaporization: 68.05 kJ/mol; (21)Boiling Point: 395.1 °C at 760 mmHg; (22)Vapour Pressure: 5.96E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc2cc(CC(O)=O)c(Oc1ccccc1)cc2
2.InChI: InChI=1/C14H11ClO3/c15-11-6-7-13(10(8-11)9-14(16)17)18-12-4-2-1-3-5-12/h1-8H,9H2,(H,16,17)
3.InChIKey: PKMKNEIUKHPJAX-UHFFFAOYAT