2-(5-Bromo-2-chlorophenyl)acetic acid

Base Information

• Chemical Name: 2-(5-Bromo-2-chlorophenyl)acetic acid
• CAS No.: 177985-34-1
• Molecular Formula: C8H6BrClO2
• Molecular Weight: 249.49
• Hs Code.: 2916399090
• European Community (EC) Number: 867-710-8
• DSSTox Substance ID: DTXSID90573511
• Wikidata: Q82462249
• Mol file: 177985-34-1.mol

Synonyms:2-(5-BROMO-2-CHLOROPHENYL)ACETIC ACID;177985-34-1;5-Bromo-2-chlorophenylacetic acid;Benzeneacetic acid, 5-bromo-2-chloro-;MFCD18390584;2-(5-Bromo-2-chlorophenyl)aceticacid;SCHEMBL154416;DTXSID90573511;UZYYQYJXBQXUDT-UHFFFAOYSA-N;(5-Bromo-2-chlorophenyl)acetic acid;AKOS016005099;AM83235;CS-W006149;DS-4024;SY105374;EN300-395844;A881431;Z1269155132

Chemical Property of 2-(5-Bromo-2-chlorophenyl)acetic acid

Chemical Property:

• Boiling Point: 351.1 °C at 760 mmHg
• PKA: 3.87±0.10(Predicted)
• Flash Point: 166.1 °C
• PSA: 37.30000
• Density: 1.72 g/cm³
• LogP: 2.72960
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 247.92397
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(5-Bromo-2-chlorophenyl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)CC(=O)O)Cl

Technology Process of 2-(5-Bromo-2-chlorophenyl)acetic acid

There total 4 articles about 2-(5-Bromo-2-chlorophenyl)acetic 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: 79.4%

C8H5BrClN (1057216-52-0) → 5-bromo-2-chlorophenylacetic acid (177985-34-1)

Guidance literature:

With water; sodium hydroxide; In ethanol; for 7h; Reflux;

Reference yield:

2-chloro-5-bromotoluene (54932-72-8) → 5-bromo-2-chlorophenylacetic acid (177985-34-1)

Guidance literature:

Multi-step reaction with 3 steps

1: dibenzoyl peroxide; N-Bromosuccinimide / tetrachloromethane / 5 h / Reflux

2: acetonitrile / 53 h / 20 °C / Cooling with ice

3: sodium hydroxide; water / ethanol / 7 h / Reflux

With N-Bromosuccinimide; water; sodium hydroxide; dibenzoyl peroxide; In tetrachloromethane; ethanol; acetonitrile;

Reference yield:

5-Bromo-2-chlorobenzyl bromide (149965-41-3) → 5-bromo-2-chlorophenylacetic acid (177985-34-1)

Guidance literature:

Multi-step reaction with 2 steps

1: acetonitrile / 53 h / 20 °C / Cooling with ice

2: sodium hydroxide; water / ethanol / 7 h / Reflux

With water; sodium hydroxide; In ethanol; acetonitrile;

upstream raw materials:

C₉H₈BrClO₂

2-chloro-5-bromotoluene

5-Bromo-2-chlorobenzyl bromide

C₈H₅BrClN

Downstream raw materials:

3-(5-bromo-2-chlorophenyl)-4-hydroxy-8-(trifluoromethyl)-1-azaspiro[4.5]dec-3-en-2-one

Refernces

• 1、 -. "2- and 2,5-substituted phenylketoenols". Page column 80. . Retrieved 2010/01/31.