3-Bromo-5-chlorobenzoic acid

Base Information

• Chemical Name: 3-Bromo-5-chlorobenzoic acid
• CAS No.: 42860-02-6
• Molecular Formula: C7H4BrClO2
• Molecular Weight: 235.465
• Hs Code.: 2916399090
• European Community (EC) Number: 630-135-6
• DSSTox Substance ID: DTXSID10275020
• Wikidata: Q72452402
• Mol file: 42860-02-6.mol

Synonyms:3-Bromo-5-chlorobenzoic acid;42860-02-6;Benzoic acid, 3-bromo-5-chloro-;MFCD06797227;3-Bromo-5-ChlorobenzoicAcid;3-bromo-5-chloro-benzoic Acid;5-bromo-3-chlorobenzoic acid;SCHEMBL560354;DTXSID10275020;CL8073;AKOS015834263;3-BROMO-5-CHLORO BENZOIC ACID;AB29578;AM83072;CS-W004992;PS-7659;AC-28673;SY024815;A6952;B4191;FT-0653805;EN300-107464;J-511996;J-650240;Z1269235666

Chemical Property of 3-Bromo-5-chlorobenzoic acid

Chemical Property:

• Vapor Pressure: 5.99E-05mmHg at 25°C
• Melting Point: 190-192 °C
• Refractive Index: 1.621
• Boiling Point: 332 °C at 760 mmHg
• PKA: 3.44±0.10(Predicted)
• Flash Point: 154.6 °C
• PSA: 37.30000
• Density: 1.809 g/cm³
• LogP: 2.80070
• Storage Temp.: Keep Cold
• Solubility.: soluble in Methanol
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 233.90832
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

98% ^*data from raw suppliers

3-Bromo-5-chlorobenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

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

Technology Process of 3-Bromo-5-chlorobenzoic acid

There total 7 articles about 3-Bromo-5-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:

→ 3‐bromo‐5‐chlorobenzoic acid (42860-02-6)

Guidance literature:

With chromium; acetic acid;

Reference yield:

1-bromo-3-chloro-5-methylbenzene (329944-72-1) → 3‐bromo‐5‐chlorobenzoic acid (42860-02-6)

Guidance literature:

With nitric acid;

Reference yield:

2-bromo-4-methylacetanilide (614-83-5) → 3‐bromo‐5‐chlorobenzoic acid (42860-02-6)

Guidance literature:

Multi-step reaction with 3 steps

1: KClO₃; hydrochloric acid / -10 °C

2: Hydrolysis_.und Entamidierung

3: HNO₃

With hydrogenchloride; potassium chlorate; nitric acid;

upstream raw materials:

1-bromo-3-chloro-5-methylbenzene

3-bromo-5-chloro-1,1’-biphenyl

acetic acid

2-bromo-4-methylacetanilide