2,5-Dibromobenzoic acid

Base Information

• Chemical Name: 2,5-Dibromobenzoic acid
• CAS No.: 610-71-9
• Molecular Formula: C7H4Br2O2
• Molecular Weight: 279.916
• Hs Code.: 29163990
• European Community (EC) Number: 210-234-7
• NSC Number: 190697
• UNII: AL6IIX5WZY
• DSSTox Substance ID: DTXSID30209862
• Nikkaji Number: J73.936G
• Wikidata: Q72463877
• Mol file: 610-71-9.mol

Synonyms:2,5-Dibromobenzoic acid;610-71-9;BENZOIC ACID, 2,5-DIBROMO-;AL6IIX5WZY;EINECS 210-234-7;MFCD00016494;NSC 190697;BRN 1868193;NSC-190697;4-09-00-01027 (Beilstein Handbook Reference);2,5-DibromobenzoicAcid;NSC190697;UNII-AL6IIX5WZY;2,5-Dibromo-benzoic acid;SCHEMBL570906;2,5-Dibromobenzoic acid, 96%;SQQKOTVDGCJJKI-UHFFFAOYSA-;DTXSID30209862;BCP27116;BBL104261;STL558399;AKOS000298635;AC-4793;CS-W002104;GS-3234;BP-13202;LS-36757;SY013560;AM20060689;D3439;FT-0610276;A15685;EN300-112709;W-105203

Chemical Property of 2,5-Dibromobenzoic acid

Chemical Property:

• Appearance/Colour: white to off white crystal powder
• Vapor Pressure: 2.48E-05mmHg at 25°C
• Melting Point: 156-159 °C(lit.)
• Refractive Index: 1.4970 (estimate)
• Boiling Point: 344.6 °C at 760 mmHg
• PKA: 2.46±0.10(Predicted)
• Flash Point: 162.2 °C
• PSA: 37.30000
• Density: 2.083 g/cm³
• LogP: 2.90980
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 279.85576
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

2,5-Dibromobenzoic Acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)C(=O)O)Br
• Uses: 2,5-Dibromobenzoic Acid is an intermediate used to prepare benzo[c]chromenone and benzo[c]chromene derivatives as estrogen β-receptor-selective agonists in comparison with effusol and estradiol. It is also used in the synthesis of aminopyridine-based c-Jun N-terminal kinase inhibitors with cellular activity and minimal cross-kinase activity.

Technology Process of 2,5-Dibromobenzoic acid

There total 35 articles about 2,5-Dibromobenzoic 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: 85.6%

2-bromobenzoic-acid (88-65-3) → 2,5-dibromobenzoic acid (610-71-9)

Guidance literature:

With sodium periodate; sulfuric acid; sodium bromide; In water; acetic acid; at 30 - 65 ℃;

Reference yield:

tetrachloromethane (56-23-5) + ethanol (64-17-5) + 2,4,7-tribromotropone (29798-82-1) → 2,5-dibromobenzoic acid (610-71-9) + 2,4-dibromobenzoic acid (611-00-7)

Guidance literature:

DOI:10.1021/ja01622a053

Reference yield:

1,4-dibromo-2-methylbenzene (615-59-8) → 2,5-dibromobenzoic acid (610-71-9)

Guidance literature:

With nitric acid;

upstream raw materials:

tetrachloromethane

ethanol

2,4,7-tribromotropone

1,4-dibromo-2-methylbenzene

Downstream raw materials:

2,5-dibromobenzoic acid ethyl ester

2-(4-bromo-2-carboxyphenyl)malonic acid dimethyl ester

11-hydroxyundecyl 2,5-dibromobenzoate

2-[(3-chlorophenyl)thio]-5-bromobenzoic acid

Refernces

• 1、 Honnanayakanavar, Jyoti M.,Nanubolu, Jagadeesh Babu,Suresh, Surisetti. "Tandem copper catalyzed regioselectiveN-arylation-amidation: synthesis of angularly fused dihydroimidazoquinazolinones and the anticancer agent TIC10/ONC201". supporting information. p. 8497 - 8501. Retrieved 2021/10/20.
• 2、 -. "Preparation method of 2,5-dihalo-benzoic acid". Paragraph 0029-0031. . Retrieved 2018/05/16.