3-Chlorophenylacetic acid

Base Information

• Chemical Name: 3-Chlorophenylacetic acid
• CAS No.: 1878-65-5
• Molecular Formula: C8H7ClO2
• Molecular Weight: 170.595
• Hs Code.: 29163900
• European Community (EC) Number: 217-520-0
• NSC Number: 87556
• UNII: F3JK7EW3SX
• DSSTox Substance ID: DTXSID5075151
• Nikkaji Number: J147C
• Wikidata: Q63395571
• ChEMBL ID: CHEMBL335792
• Mol file: 1878-65-5.mol

Synonyms:3-CHLOROPHENYLACETIC ACID;1878-65-5;2-(3-chlorophenyl)acetic acid;m-Chlorophenylacetic acid;Benzeneacetic acid, 3-chloro-;3-Chlorobenzeneacetic acid;Acetic acid, (m-chlorophenyl)-;(m-Chlorophenyl)acetic acid;(3-chlorophenyl)acetic acid;MFCD00004332;F3JK7EW3SX;(3-Chloro-phenyl)-acetic acid;EINECS 217-520-0;NSC 87556;NSC-87556;3-Chlorophenylaceticacid;3-chlorophenyl acetic acid;Meta-chlorophenyl acetic acid;UNII-F3JK7EW3SX;3-chloro-phenylacetic acid;3-chlorophenyl-acetic acid;(3-chlorophenyl)-acetic acid;SCHEMBL467923;CHEMBL335792;DTXSID5075151;2-(3-chlorophenyl) acetic acid;3-Chlorophenylacetic acid, 98%;NSC87556;STL169032;BENZENEACETIC ACID, M-CHLORO-;AKOS000155364;AB00363;AC-3240;CS-W010777;PS-5572;SY004837;AM20060534;C1055;FT-0615512;EN300-64105;AC-509/25001994;W-107766;Q63395571;Z285184608

Chemical Property of 3-Chlorophenylacetic acid

Chemical Property:

• Appearance/Colour: white shiny flakes and chunks
• Vapor Pressure: 0.000751mmHg at 25°C
• Melting Point: 76-79 °C(lit.)
• Refractive Index: 1.5660 (estimate)
• Boiling Point: 294.1 °C at 760 mmHg
• PKA: 4.14(at 25℃)
• Flash Point: 131.7 °C
• PSA: 37.30000
• Density: 1.324 g/cm³
• LogP: 1.96710
• Storage Temp.: Store below +30°C.
• Solubility.: methanol: 0.1 g/mL, clear, colorless
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.0134572
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

3-Chlorophenylacetic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)CC(=O)O

Technology Process of 3-Chlorophenylacetic acid

There total 34 articles about 3-Chlorophenylacetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

5-chlorobicyclo[4.2.0]octa-1,3,5-trien-7-one (81447-63-4) → 3-chlorophenylacetic acid (1878-65-5)

Guidance literature:

With sodium hydroxide; at 60 ℃; for 2h;

DOI:10.1021/jo00133a031

Reference yield: 95.0%

3-chloro-benzeneacetonitrile (1529-41-5) → 3-chlorophenylacetic acid (1878-65-5)

Guidance literature:

With 1-butyl-3-methylimidazolium hydrogen sulfate; water; at 60 - 65 ℃; for 1.4h; Green chemistry;

DOI:10.1016/j.tetlet.2014.05.050

Reference yield: 91.0%

ethyl 2-(3-chlorophenyl)acetate (14062-29-4) → 3-chlorophenylacetic acid (1878-65-5)

Guidance literature:

With water; sodium hydroxide; In 1,4-dioxane; at 60 ℃; for 2h; pH=10 - 14;

upstream raw materials:

3-chloro-benzeneacetonitrile

3-amino phenylacetic acid

3-(3-Chlorphenyl)-2-oxopropansaeure

5-chlorobicyclo[4.2.0]octa-1,3,5-trien-7-one

Downstream raw materials:

3-chloro-benzeneacetyl chloride

(3-chloro-phenyl)-acetic acid-(4-chloro-anilide)

(3-chloro-phenyl)-acetic acid p-anisidide

(3-chloro-phenyl)-acetic acid-(3-chloro-anilide)

Refernces

• 1、 Li, Chenchen,Li, Ruoling,Zhang, Bing,Zhao, Pei,Zhao, Wanxiang. "Oxidation of Alkynyl Boronates to Carboxylic Acids, Esters, and Amides". . p. 10913 - 10917. Retrieved 2020/05/25.
• 2、 -. "Preparation method of acid with different substituent groups". Paragraph 0073-0077. . Retrieved 2019/10/23.