4-Bromo-3,5-dichlorobenzoic acid

Base Information

• Chemical Name: 4-Bromo-3,5-dichlorobenzoic acid
• CAS No.: 117738-75-7
• Molecular Formula: C7H3BrCl2O2
• Molecular Weight: 269.91
• Hs Code.: 2916399090
• NSC Number: 190707
• DSSTox Substance ID: DTXSID10307315
• Wikidata: Q82054687
• Mol file: 117738-75-7.mol

Synonyms:4-bromo-3,5-dichlorobenzoic acid;117738-75-7;4-Bromo-3,5-dichlorobenzoicacid;Benzoic acid, 4-bromo-3,5-dichloro-;MFCD14704247;NSC190707;SCHEMBL10644194;DTXSID10307315;BBL009510;STL119731;TD1025;AKOS005061383;CS-W018899;DS-3563;NSC-190707;NCGC00325333-01;AC-28527;SY101821;FT-0738395;EN300-171555;AB01319755-02;A893300;Z1269216347

Chemical Property of 4-Bromo-3,5-dichlorobenzoic acid

Chemical Property:

• Boiling Point: 364.3±42.0 °C(Predicted)
• PKA: 3.23±0.10(Predicted)
• PSA: 37.30000
• Density: 1.900±0.06 g/cm3(Predicted)
• LogP: 3.45410
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 267.86935
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-3,5-dichlorobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Cl)Br)Cl)C(=O)O

Technology Process of 4-Bromo-3,5-dichlorobenzoic acid

There total 7 articles about 4-Bromo-3,5-dichlorobenzoic 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: 88.0%

3,5-dichloro-4-bromoacetophenone → 3,5-dichloro-4-bromobenzoic acid (117738-75-7)

Guidance literature:

With sodium hypochlorite; sodium hydroxide; for 6h; pH=> 10; Reflux;

Reference yield:

methyl 4-bromo-3,5-dichlorobenzoate (117738-81-5) → 3,5-dichloro-4-bromobenzoic acid (117738-75-7)

Guidance literature:

Reference yield:

2,6-Dichloroaniline (608-31-1) → 3,5-dichloro-4-bromobenzoic acid (117738-75-7)

Guidance literature:

Multi-step reaction with 3 steps

1: aluminum (III) chloride / dichloromethane / 0 - 20 °C

2: copper(I) bromide; sodium nitrite; hydrogen bromide / water / 4.5 h / 0 - 5 °C

3: sodium hypochlorite; sodium hydroxide / 6 h / pH > 10 / Reflux

With aluminum (III) chloride; sodium hypochlorite; hydrogen bromide; copper(I) bromide; sodium hydroxide; sodium nitrite; In dichloromethane; water;

upstream raw materials:

4-bromo-3,5-dichlorobenzaldehyde

2,6-dichloro-4-methylaniline

4-bromo-3,5-dichloro-toluene

methyl 4-bromo-3,5-dichlorobenzoate

Downstream raw materials:

5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid hydrochloride