3-Bromo-2-iodobenzoic acid

Base Information

Chemical Name:3-Bromo-2-iodobenzoic acid
CAS No.:503821-94-1
Molecular Formula:C₇H₄BrIO₂
Molecular Weight:326.916
Hs Code.:2916399090
European Community (EC) Number:813-348-0
DSSTox Substance ID:DTXSID10459621
Nikkaji Number:J1.880.338K
Wikidata:Q82283439
Mol file:503821-94-1.mol

Synonyms:3-BROMO-2-IODOBENZOIC ACID;503821-94-1;3-Bromo-2-iodobenzoicacid;2-iodo-3-bromobenzoic acid;bromo-iodo benzoic acid;3-bromo-2-iodo benzoic acid;SCHEMBL3266996;DTXSID10459621;RBFCXOXAEIWXRW-UHFFFAOYSA-N;MFCD15527220;AKOS012414517;DS-15314;CS-0098092;FT-0732602;EN300-107770;N10630;A871577;Z1094749266

Suppliers and Price of 3-Bromo-2-iodobenzoic 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

SynQuest Laboratories
3-Bromo-2-iodobenzoic acid
25 g
$ 1072.00

SynQuest Laboratories
3-Bromo-2-iodobenzoic acid
1 g
$ 120.00

SynQuest Laboratories
3-Bromo-2-iodobenzoic acid
5 g
$ 359.00

Crysdot
3-Bromo-2-iodobenzoicacid 95+%
5g
$ 287.00

Crysdot
3-Bromo-2-iodobenzoicacid 95+%
10g
$ 455.00

Crysdot
3-Bromo-2-iodobenzoicacid 95+%
25g
$ 911.00

Chemenu
3-Bromo-2-iodobenzoicacid 95%
25g
$ 860.00

Chemenu
3-Bromo-2-iodobenzoicacid 95%
10g
$ 430.00

Chemenu
3-Bromo-2-iodobenzoicacid 95%
5g
$ 271.00

Chemcia Scientific
3-Bromo-2-iodo-benzoicacid 95%
5 G
$ 330.00

Total 21 raw suppliers

Chemical Property of 3-Bromo-2-iodobenzoic acid

Chemical Property:

Melting Point:148-151 °C
Boiling Point:365.2±32.0 °C(Predicted)
PKA:2.47±0.10(Predicted)
Density:2.331±0.06 g/cm3(Predicted)
Storage Temp.:2-8°C(protect from light)
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:325.84394
Heavy Atom Count:11
Complexity:163

Purity/Quality:

99%, ^*data from raw suppliers

3-Bromo-2-iodobenzoic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C(=C1)Br)I)C(=O)O

Technology Process of 3-Bromo-2-iodobenzoic acid

There total 4 articles about 3-Bromo-2-iodobenzoic 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: 59.0%

: 585-76-2
m-bromobenzoic acid

: 21740-00-1
5-bromo-2-iodo-benzoic acid

: 503821-94-1
2-iodo-3-bromobenzoic acid

Guidance literature:: With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; iodine; silver(I) acetate; triethylamine; at 23 ℃; for 18h; regioselective reaction; Sealed tube;
DOI:10.1002/chem.202002204

Reference yield: 50.0%

: 585-76-2
m-bromobenzoic acid

: 503821-94-1
2-iodo-3-bromobenzoic acid

Guidance literature:: m-bromobenzoic acid; With 2,2,6,6-tetramethylpiperidinyl-lithium; In tetrahydrofuran; at -50 ℃; for 1h;

With iodine; In tetrahydrofuran; at -50 - 20 ℃; Further stages.;
DOI:10.1021/jo026514t

Reference yield:

: 20776-51-6
2-amino-3-bromo benzoic acid

: 503821-94-1
2-iodo-3-bromobenzoic acid

Guidance literature:: With toluene-4-sulfonic acid; potassium iodide; sodium nitrite; In water; acetonitrile; at 10 - 15 ℃; for 1h;
DOI:10.1021/acs.joc.0c01125