3,5-Dibromo-2-chlorobenzoic acid

Base Information

• Chemical Name: 3,5-Dibromo-2-chlorobenzoic acid
• CAS No.: 27003-05-0
• Molecular Formula: C7H3 Br2 Cl O2
• Molecular Weight: 314.361
• Hs Code.: 2916399090
• NSC Number: 190723
• DSSTox Substance ID: DTXSID80307322
• Wikidata: Q82054694
• Mol file: 27003-05-0.mol

Synonyms:3,5-dibromo-2-chlorobenzoic acid;27003-05-0;3,5-Dibromo-2-chlorobenzoicacid;NSC190723;SCHEMBL1228193;DTXSID80307322;AXIYETPARSBPQM-UHFFFAOYSA-N;3,5-Dibromo-2-chloro-benzoic acid;BBL023216;MFCD07780692;STL282515;AKOS000109272;NSC-190723;VS-07355;BB 0245930;FT-0738480

Chemical Property of 3,5-Dibromo-2-chlorobenzoic acid

Chemical Property:

• Vapor Pressure: 2.69E-06mmHg at 25°C
• Melting Point: 180-181 °C(Solv: benzene (71-43-2))
• Boiling Point: 375.2°Cat760mmHg
• PKA: 2.04±0.25(Predicted)
• Flash Point: 180.7°C
• PSA: 37.30000
• Density: 2.148g/cm³
• LogP: 3.56320
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 313.81678
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

98%min ^*data from raw suppliers

3,5-Dibromo-2-chlorobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1C(=O)O)Cl)Br)Br

Technology Process of 3,5-Dibromo-2-chlorobenzoic acid

There total 3 articles about 3,5-Dibromo-2-chlorobenzoic 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:

2-amino-3,5-dibromobenzoic acid (609-85-8) → 3,5-dibromo-2-chloro-benzoic acid (27003-05-0)

Guidance literature:

2-amino-3,5-dibromobenzoic acid; With hydrogenchloride; sodium nitrite; In water; at 0 ℃;

With hydrogenchloride; copper(l) chloride; In water; at 20 ℃;

Reference yield:

2-amino-3,5-dibromo-benzoic acid methyl ester (606-00-8) → 3,5-dibromo-2-chloro-benzoic acid (27003-05-0)

Guidance literature:

With sulfuric acid; acetic acid; sodium nitrite; at -5 ℃; Diazotization_.anschliessend Behandeln mit Eis und wss. Salzsaeure, Erwaermen der erhaltenen Diazoniumsalz-Loesung mit einer Loesung von Kupfer(I)-chlorid in wss. Salzsaeure auf 45grad und Erhitzen des Reaktionsprodukts mit aethanol. Natronlauge;

Reference yield:

→ 3,5-dibromo-2-chloro-benzoic acid (27003-05-0)

Guidance literature:

With copper(l) chloride;

DOI:10.1039/jr9530000232

upstream raw materials:

2-amino-3,5-dibromo-benzoic acid methyl ester

2-amino-3,5-dibromobenzoic acid

Downstream raw materials:

methyl 3,5-dibromo-2-chlorobenzoate

2-chloro-3,5-bis(3-methoxypropyl)benzyl methanesulfonate

[2-chloro-3,5-bis(3-methoxypropyl)phenyl]methanol

methyl 2-chloro-3,5-bis(3-methoxypropyl)benzoate

Refernces