Tetrabromophthalic acid

Base Information

• Chemical Name: Tetrabromophthalic acid
• CAS No.: 13810-83-8
• Molecular Formula: C8H2Br4O4
• Molecular Weight: 481.717
• Hs Code.: 2917399090
• European Community (EC) Number: 634-371-0
• UNII: 97IHX0537R
• DSSTox Substance ID: DTXSID8043781
• Nikkaji Number: J968G
• Wikidata: Q27893594
• Mol file: 13810-83-8.mol

Synonyms:2,3,4,5-tetrabromo phthalic acid;tetrabromophthalic acid;tetrabromophthalic acid, aluminum salt;tetrabromophthalic acid, dipotassium salt;tetrabromophthalic acid, disodium salt;tetrabromophthalic acid, magnesium salt;tetrabromophthalic acid, nickel salt

Chemical Property of Tetrabromophthalic acid

Chemical Property:

• Boiling Point: 494.3 °C at 760mmHg
• PKA: 0.59±0.10(Predicted)
• Flash Point: 252.8 °C
• PSA: 74.60000
• Density: 2.687 g/cm³
• LogP: 4.13300
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 481.66456
• Heavy Atom Count: 16
• Complexity: 280

Purity/Quality:

98%min ^*data from raw suppliers

TetrabromophthalicAcid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)O)C(=O)O
• Uses: A wool brominated flame retardant. Nonmutagenic.

Technology Process of Tetrabromophthalic acid

There total 15 articles about Tetrabromophthalic 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: 96.0%

Tetrabromophthalic anhydride (632-79-1) → tetrabromobenzene-1,2-dicarboxylic acid (13810-83-8)

Guidance literature:

Tetrabromophthalic anhydride; With potassium hydroxide; In water; for 0.5h; Inert atmosphere; Reflux;

With hydrogenchloride; In water; at 20 ℃; Inert atmosphere;

DOI:10.1002/hlca.201200227

Reference yield:

sulfuric acid (7664-93-9) + 9,10-phenanthrenequinone (84-65-1) → tetrabromobenzene-1,2-dicarboxylic acid (13810-83-8) + hexabromobenzene (87-82-1) + 2,3,4,5-tetrabromo-6-pentabromobenzoyl-benzoic acid (861606-01-1)

Guidance literature:

bei der Bromierung;

Reference yield:

phthalic anhydride (85-44-9) → tetrabromobenzene-1,2-dicarboxylic acid (13810-83-8)

Guidance literature:

With sulfuric acid; bromine; at 60 ℃; man erhitzt dann auf 200grad, loest das durch Zusatz von Wasser ausgeschiedene Anhydrid in Sodaloesung und faellt mit Schwefelsaeure;

upstream raw materials:

phthalic anhydride

2,3,4,5-tetrabromo-6-pentabromobenzoyl-benzoic acid

9,10-phenanthrenequinone

benzene-1,2-dicarboxylic acid

Downstream raw materials:

tetrabromo-phthalic acid monomethyl ester

Tetrabromophthalic anhydride

dimethyl 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate

Refernces

• 1、 Shishkin, V.N.,Bolusheva, I.Yu.,Lapin, K.K.,Tanaseichuk, B.S.. "POLYBROMINATED AROMATIC COMPOUNDS VI. EXHAUSTIVE BROMINATION IN THE RING OF DEACTIVATED AROMATIC COMPOUNDS". . p. 1303 - 1308. Retrieved 2007/10/02.