4-Bromophthalic anhydride

Base Information

• Chemical Name: 4-Bromophthalic anhydride
• CAS No.: 86-90-8
• Molecular Formula: C8H3BrO3
• Molecular Weight: 227.014
• Hs Code.: 29173990
• European Community (EC) Number: 201-707-9
• UNII: 2D7E8SD3ZF
• DSSTox Substance ID: DTXSID70235342
• Nikkaji Number: J141.261B
• Wikidata: Q72511457
• Mol file: 86-90-8.mol

Synonyms:4-Bromophthalic anhydride;86-90-8;5-bromoisobenzofuran-1,3-dione;5-bromo-1,3-dihydro-2-benzofuran-1,3-dione;5-Bromo-2-benzofuran-1,3-dione;1,3-Isobenzofurandione, 5-bromo-;C8H3BrO3;4-Bromo Phthalic anhydride;2D7E8SD3ZF;5-BROMO-ISOBENZOFURAN-1,3-DIONE;EINECS 201-707-9;MFCD00191323;4-Bromo-phthalic anhydride;4-BROMOPHTHALIC ACID ANHYDRIDE;4-bromphthalsyreanhydrid;5-bromophthalic anhydride;UNII-2D7E8SD3ZF;SCHEMBL135902;C8-H3-Br-O3;DTXSID70235342;5-Bromo-2-benzofuran-1,3-dione #;AKOS000121183;AC-7938;CS-W019549;FS-1200;PB33839;SY014696;AM20060740;B1693;FT-0617918;EN300-18058;P16601;A841875;J-514837;5-Bromo-1,3-dihydro-2-benzofuran-1,3-dione;3-BROMOPHTHALIC ANHYDRIDE

Chemical Property of 4-Bromophthalic anhydride

Chemical Property:

• Appearance/Colour: off-white to white powder
• Vapor Pressure: 2.02E-05mmHg at 25°C
• Melting Point: 107 °C
• Refractive Index: 1.651
• Boiling Point: 361.8 °C at 760 mmHg
• Flash Point: 172.6 °C
• PSA: 43.37000
• Density: 1.911
• LogP: 1.75970
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: very soluble in Benzene
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 225.92656
• Heavy Atom Count: 12
• Complexity: 239

Purity/Quality:

98.5%, ^*data from raw suppliers

4-Bromophthalic Anhydride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)C(=O)OC2=O

Technology Process of 4-Bromophthalic anhydride

There total 10 articles about 4-Bromophthalic anhydride 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: 97.0%

4-bromophthalic acid (6968-28-1) → 4-bromophthalic anhydride (86-90-8)

Guidance literature:

With acetic anhydride; for 2h; Heating;

DOI:10.1039/a708468d

Reference yield: 87.0%

5-Bromoisoindoline-1,3-dione (6941-75-9) → 4-bromophthalic anhydride (86-90-8)

Guidance literature:

With urea; at 140 ℃; for 0.333333h;

DOI:10.1002/anie.201608712

Reference yield: 85.4%

phthalic anhydride (85-44-9) → 4-bromophthalic anhydride (86-90-8)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; bromine; sodium hydroxide; In water; at 45 - 80 ℃; for 11.7h; Reagent/catalyst; Temperature; Catalytic behavior;

upstream raw materials:

4-bromophthalic acid

phthalic anhydride

5-brom-7-oxa-bicyclo<2.2.1>hept-5-en-2-exo,3-cis-dicarbonsaeureanhydrid

hydrogen bromide

Downstream raw materials:

4-bromophthalic Acid Dimethyl Ester

5-bromo-2-phenyl-indan-1,3-dione

4-bromo-2-(4-bromo-benzoyl)-benzoic acid

6-bromo-3,3-diphenyl-3H-isobenzofuran-1-one

Refernces

• 1、 -. "COMPOUNDS AND USES THEREOF". Page/Page column 316. . Retrieved 2021/08/06.
• 2、 -. "Synthesis method of 4-halogenated phthalic anhydride and derivative thereof". Paragraph 0024-0027; 0029-0032; 0034-0037; 0039-0042; 0044-0. . Retrieved 2020/12/30.