Bromanilic acid

Base Information

• Chemical Name: Bromanilic acid
• CAS No.: 4370-59-6
• Molecular Formula: C6H2 Br2 O4
• Molecular Weight: 297.887
• Hs Code.: 2914700090
• European Community (EC) Number: 678-383-4
• NSC Number: 36928
• DSSTox Substance ID: DTXSID1063437
• Nikkaji Number: J13.283G
• Wikidata: Q63393450
• Mol file: 4370-59-6.mol

Synonyms:Bromanilic acid;4370-59-6;2,5-dibromo-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione;2,5-Dibromo-3,6-dihydroxyquinone;2,5-Cyclohexadiene-1,4-dione, 2,5-dibromo-3,6-dihydroxy-;p-Benzoquinone, 2,5-dibromo-3,6-dihydroxy-;NSC 36928;2,5-Dibromo-3,6-dihydroxy-p-quinone;2,5-Dibromo-3,6-dihydroxy-p-benzoquinone;NSC36928;2,6-dihydroxyquinone;C6H2Br2O4;SCHEMBL6253128;C6-H2-Br2-O4;DTXSID1063437;2,5-Dibrom-3,6-dihydroxychinon;2-(piperazin-1-ylthio)benzonitrile;MFCD00058956;NSC-36928;STL232643;AKOS015955328;AS-69591;p-Benzoquinone,5-dibromo-3,6-dihydroxy-;2,4-dione, 2,5-dibromo-3,6-dihydroxy-;CS-0132054;D0182;FT-0663606;D78439;2,5-Dibromo-3,6-dihydroxybenzo-1,4-quinone #;A872656;2,5-DIBROMO-3,6-DIHYDROXY-PARA-BENZOQUINONE;Q63393450

Chemical Property of Bromanilic acid

Chemical Property:

• Vapor Pressure: 1.41E-05mmHg at 25°C
• Melting Point: 270 °C
• Boiling Point: 328.5°Cat760mmHg
• Flash Point: 152.5°C
• PSA: 74.60000
• Density: 2.958g/cm³
• LogP: 1.46720
• Storage Temp.: Amber Vial, Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 297.82993
• Heavy Atom Count: 12
• Complexity: 306

Purity/Quality:

98%,99%, ^*data from raw suppliers

Bromanilic Acid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=O)C(=C(C1=O)Br)O)Br)O
• Uses: A benzoquinone derivative that acts as an electron acceptor in cationic polymerization.

Technology Process of Bromanilic acid

There total 28 articles about Bromanilic 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: 83.0%

3,5,6-trihydroxytropolone → bromanilic acid (4370-59-6)

Guidance literature:

With bromine; sodium acetate; AcOH, r.t.; 95 deg C, 2 h;

DOI:10.1246/bcsj.60.4325

Reference yield: 75.0%

2,5-dihydroxy-1,4-benzoquinone (615-94-1) → bromanilic acid (4370-59-6)

Guidance literature:

With bromine; In acetic acid; at 110 ℃; for 18h; Heating;

DOI:10.1039/c9dt01320b

Reference yield:

3,3,6-tribromo-cyclohexane-1,2,4,5-tetraone; hydrate → carbon dioxide (124-38-9,18923-20-1) + bromanilic acid (4370-59-6) + 3,3,5-tribromo-cyclopentane-1,2,4-trione (859182-20-0) + hydrogen bromide (10035-10-6,12258-64-9)

Guidance literature:

upstream raw materials:

tetrabromobenzoquinone

2,5-dibromo-1,4-benzoquinone

Tetrabromocatechol

2,3,5-tribromo-1,4-benzoquinone

Refernces

• 1、 Salzmann. "-". . p. 1997. Retrieved 1887.