5-Amino-2-bromobenzoic acid

Base Information

• Chemical Name: 5-Amino-2-bromobenzoic acid
• CAS No.: 2840-02-0
• Molecular Formula: C7H6BrNO2
• Molecular Weight: 216.034
• Hs Code.: 2922499990
• European Community (EC) Number: 627-968-2
• DSSTox Substance ID: DTXSID50377799
• Nikkaji Number: J80.573D
• Wikidata: Q72438410
• Mol file: 2840-02-0.mol

Synonyms:5-Amino-2-bromobenzoic acid;2840-02-0;5-amino-2-bromo-benzoic Acid;5-Amino-2-bromobenzoicacid;MFCD07368968;Benzoic acid, 5-amino-2-bromo-;2-Bromo-5-aminobenzoic acid;5-amino-2-bromo benzoic acid;SCHEMBL1180602;DTXSID50377799;FEXDUVBQBNYSQV-UHFFFAOYSA-N;5-Amino-2-bromobenzoic acid, 94%;BBL100656;CL8124;GEO-00082;STL554450;AKOS005254653;AC-3872;CS-W014871;PS-5122;SY013433;AM20060595;FT-0647710;A19950;EN300-110048;W-200276;Z902266056

Chemical Property of 5-Amino-2-bromobenzoic acid

Chemical Property:

• Vapor Pressure: 5.26E-06mmHg at 25°C
• Melting Point: 171-179 °C
• Refractive Index: 1.672
• Boiling Point: 366.2 °C at 760 mmHg
• Flash Point: 175.2 °C
• PSA: 63.32000
• Density: 1.794 g/cm³
• LogP: 2.31070
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 214.95819
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

98% ^*data from raw suppliers

5-Amino-2-bromobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N)C(=O)O)Br
• Uses: 5-Amino-2-bromobenzoic Acid can be used for FABP4 and FABP4 inhibitors to prevent or treat FABP 4/5 related diseases.

Technology Process of 5-Amino-2-bromobenzoic acid

There total 3 articles about 5-Amino-2-bromobenzoic 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: 78.0%

meta-aminobenzoic acid (99-05-8,159139-79-4) → 5-acetamido-2-bromobenzoic acid (2840-02-0)

Guidance literature:

With N-Bromosuccinimide; In water; N,N-dimethyl-formamide; at 5 ℃; for 13h;

Reference yield:

2-bromo-5-nitrobenzoic acid (943-14-6) → 5-acetamido-2-bromobenzoic acid (2840-02-0)

Guidance literature:

With hydrogenchloride; tin;

Reference yield:

acetic acid (64-19-7,77671-22-8) + 2-bromo-5-nitrobenzoic acid (943-14-6) → 5-acetamido-2-bromobenzoic acid (2840-02-0)

Guidance literature:

upstream raw materials:

2-bromo-5-nitrobenzoic acid

acetic acid

meta-aminobenzoic acid

Downstream raw materials:

2,5-dibromobenzoic acid

5-acetylamino-2-bromobenzoic acid

2-bromobenzoic-acid

5-amino-2-bromobenzoic acid hydrochloride

Refernces

• 1、 -. "Fab I inhibitors". Page column 20. . Retrieved 2010/02/06.