2-Amino-3,5-dibromobenzoic acid

Base Information

• Chemical Name: 2-Amino-3,5-dibromobenzoic acid
• CAS No.: 609-85-8
• Molecular Formula: C7H5Br2NO2
• Molecular Weight: 294.93
• Hs Code.: 29224985
• NSC Number: 886
• DSSTox Substance ID: DTXSID90277108
• Nikkaji Number: J79.722G
• Wikidata: Q72435605
• Mol file: 609-85-8.mol

Synonyms:2-Amino-3,5-dibromobenzoic acid;609-85-8;3,5-Dibromoanthranilic acid;2-Amino-3,5-dibromobenzoicacid;Benzoic acid, 2-amino-3,5-dibromo-;3,5-DIBROMO-2-AMINOBENZOIC ACID;2-carboxy-4,6-dibromoaniline;2-Amino-3,5-dibromo-benzoic acid;MFCD00017087;MADURAMICINAMMONIUMSALT;SCHEMBL951441;ghl.PD_Mitscher_leg0.1128;NSC886;DTXSID90277108;NSC-886;AMY31468;3,5-Dibromoanthranilic acid, 98%;BBL018502;NA-693;STL086191;AKOS000121062;CCG-234854;CS-W012163;AC-11523;AS-60154;BB 0244026;D4177;FT-0614505;EN300-21673;A832991;AE-848/30748004;J-507767;J-802104;F1943-0105;Z104508440

Chemical Property of 2-Amino-3,5-dibromobenzoic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 4.74E-06mmHg at 25°C
• Melting Point: 235-236 °C(lit.)
• Refractive Index: 1.699
• Boiling Point: 367.6 °C at 760 mmHg
• PKA: 4.16±0.10(Predicted)
• Flash Point: 176.1 °C
• PSA: 63.32000
• Density: 2.158 g/cm³
• LogP: 3.07320
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 294.86665
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

99.5% ^*data from raw suppliers

2-Amino-3,5-dibromobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-37/38-36
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2-Amino-3,5-dibromobenzoic acid

There total 40 articles about 2-Amino-3,5-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: 98.0%

5-Bromo-2-aminobenzoic acid (5794-88-7) → 2-amino-3,5-dibromobenzoic acid (609-85-8)

Guidance literature:

With bromine; In tetrachloromethane; at 20 ℃; Cooling with ice;

DOI:10.1134/S1070427209090122

Reference yield: 95.0%

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 2-amino-3,5-dibromobenzoic acid (609-85-8)

Guidance literature:

With hydrogenchloride; dihydrogen peroxide; sodium bromide; In water; at 15 ℃; for 2h;

DOI:10.1134/S1070427208080314

Reference yield: 91.22%

N-bromophthalimide (2439-85-2) → 2-amino-3,5-dibromobenzoic acid (609-85-8)

Guidance literature:

N-bromophthalimide; With sodium hydroxide; In water; at -5 - 20 ℃; for 3h;

With sulfuric acid; dihydrogen peroxide; sodium bromide; In water; at -5 - 20 ℃; for 16h; Time;

upstream raw materials:

isatoic anhydride

5,7-Dibromoisatin

6,8-dibromo-2-methyl-3,1-benzoxazin-4(H)-one

1-methyl-2-nitrobenzene

Downstream raw materials:

6-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione

3,5-dibromobenzoic acid

3,5-dibromonitrobenzene

2,4-dibromo-aniline

Refernces

• 1、 Alimi, Kamel,Ayed, Mohamed Adnene Hadj,Braiek, Mourad Ben,Chaaben, Noureddine,Jabli, Mahjoub,Jopp, Stefan,Langer, Peter,Tka, Najeh. "2,4-Bis(arylethynyl)-9-chloro-5,6,7,8-tetrahydroacridines: Synthesis and photophysical properties". . p. 1629 - 1640. Retrieved 2021/07/26.
• 2、 -. "Preparation method of 3,5-dibromo-2-aminobenzoic acid". Paragraph 0038-0073. . Retrieved 2019/01/16.