2,3,4,5-Tetrabromobenzoic acid

Base Information

Chemical Name:2,3,4,5-Tetrabromobenzoic acid
CAS No.:27581-13-1
Molecular Formula:C₇H₂Br₄O₂
Molecular Weight:437.708
Hs Code.:
DSSTox Substance ID:DTXSID201016690
Metabolomics Workbench ID:87156
Nikkaji Number:J152.984F
Mol file:27581-13-1.mol

Synonyms:2,3,4,5-tetrabromobenzoic acid;27581-13-1;SCHEMBL49516;CHEBI:165216;KVILQONZZZERSG-UHFFFAOYSA-N;DTXSID201016690

Suppliers and Price of 2,3,4,5-Tetrabromobenzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
2,3,4,5-TetrabromobenzoicAcid
10mg
$ 130.00

Medical Isotopes, Inc.
2,3,4,5-TetrabromobenzoicAcid
1 g
$ 2200.00

Total 2 raw suppliers

Chemical Property of 2,3,4,5-Tetrabromobenzoic acid

Chemical Property:

Melting Point:234 °C
Boiling Point:431.0±45.0 °C(Predicted)
PKA:1.84±0.10(Predicted)
Density:2.625±0.06 g/cm3(Predicted)
Storage Temp.:Amber Vial, -20°C Freezer, Under inert atmosphere
Solubility.:DMSO (Slightly), Methanol (Slightly, Heated)
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:437.67473
Heavy Atom Count:13
Complexity:211

Purity/Quality:

99% ^*data from raw suppliers

2,3,4,5-TetrabromobenzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)O
Uses 2,3,4,5-Tetrabromobenzoic Acid is an in vitro metabolite of the flame retardant 2-Ethylhexyl 2,3,4,5-Tetrabromobenzoate (E918780) in human and rat tissues.

Technology Process of 2,3,4,5-Tetrabromobenzoic acid

There total 7 articles about 2,3,4,5-Tetrabromobenzoic 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: 98.55%

: 2-amino-3,4,5-tribromobenzoic acid

: 27581-13-1
2,3,4,5-tetrabromobenzoic acid

Guidance literature:: 2-amino-3,4,5-tribromobenzoic acid; With hydrogen bromide; sodium nitrite; In water; at 0 ℃; for 0.5h;

With hydrogen bromide; copper(I) bromide; In water; Concentration; Reflux;

Reference yield:

: 20776-50-5
2-amino-4-bromobenzoic acid

: 27581-13-1
2,3,4,5-tetrabromobenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: hydrogen bromide / water / 5 h / 25 °C

2.1: hydrogen bromide; sodium nitrite / water / 0.5 h / 0 °C

2.2: Reflux

With hydrogen bromide; sodium nitrite; In water;

Reference yield:

: 101421-20-9
2,3,4,5-tetrabromotoluene

: 27581-13-1
2,3,4,5-tetrabromobenzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: bromine / 180 °C / Irradiation_.500 W-Lampe

2: H₂SO₄ / anschl. Behandeln mit Eis

3: aqueous KOH

With potassium hydroxide; sulfuric acid; bromine;
DOI:10.1007/BF00902394