2,4-Difluoro-5-iodobenzoic acid

Base Information

Chemical Name:2,4-Difluoro-5-iodobenzoic acid
CAS No.:161531-51-7
Molecular Formula:C7H3F2IO2
Molecular Weight:284.00
Hs Code.:2916399090
European Community (EC) Number:695-851-3
DSSTox Substance ID:DTXSID40456325
Nikkaji Number:J743.724B
Wikidata:Q72463066
Mol file:161531-51-7.mol

Synonyms:2,4-DIFLUORO-5-IODOBENZOIC ACID;161531-51-7;2,4-difluoro-5-iodo-benzoic Acid;MFCD11226506;Benzoic acid, 2,4-difluoro-5-iodo-;SCHEMBL1045113;AMY8886;DTXSID40456325;5-Iodo-2,4-difluorobenzoic acid;OSBABFNFGBPWGL-UHFFFAOYSA-N;BBL100847;STL554641;AKOS005255533;PB47708;2,4-DIFLUORO-5-IODOBENZOICACID;DS-18325;SY040810;CS-0052150;FT-0757545;EN300-113688;A883096;A1-01348;Z1269228563

Suppliers and Price of 2,4-Difluoro-5-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
2,4-Difluoro-5-iodobenzoic acid
1 g
$ 24.00

SynQuest Laboratories
2,4-Difluoro-5-iodobenzoic acid
5 g
$ 48.00

Sigma-Aldrich
2,4-Difluoro-5-iodobenzoic acid
1g
$ 304.00

Matrix Scientific
2,4-Difluoro-5-iodobenzoic acid 95%
1g
$ 34.00

Matrix Scientific
2,4-Difluoro-5-iodobenzoic acid 95%
500mg
$ 22.00

Crysdot
2,4-Difluoro-5-iodobenzoic acid 95+%
25g
$ 143.00

Chemenu
2,4-Difluoro-5-iodobenzoic acid 95%
25g
$ 122.00

Chemcia Scientific
2,4-Difluoro-5-iodobenzoic acid ＞97%
5 G
$ 80.00

Apolloscientific
2,4-Difluoro-5-iodobenzoic acid
1g
$ 15.00

Apolloscientific
2,4-Difluoro-5-iodobenzoic acid
5g
$ 27.00

Total 35 raw suppliers

Chemical Property of 2,4-Difluoro-5-iodobenzoic acid

Chemical Property:

Melting Point:151-152 °C
Boiling Point:318.944 °C at 760 mmHg
PKA:2.86±0.10(Predicted)
Flash Point:146.692 °C
PSA：37.30000
Density:2.144 g/cm³
LogP:2.26760
Storage Temp.:2-8°C(protect from light)
Sensitive.:Light Sensitive
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:283.91458
Heavy Atom Count:12
Complexity:188

Purity/Quality:

99%, ^*data from raw suppliers

2,4-Difluoro-5-iodobenzoic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s): T
Hazard Codes:T
Statements: 25
Safety Statements: 45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C(=CC(=C1I)F)F)C(=O)O

Technology Process of 2,4-Difluoro-5-iodobenzoic acid

There total 1 articles about 2,4-Difluoro-5-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: 100.0%

: 1583-58-0
2,4-difluoro-benzoic acid

: 161531-51-7
2,4-difluoro-5-iodobenzoic acid

Guidance literature:: With N-iodo-succinimide; sulfuric acid; at 0 ℃; for 4h;
DOI:10.1021/jm900460z

Reference yield: 94.0%

: 24424-99-5
di-tert-butyl dicarbonate

: 161531-51-7
2,4-difluoro-5-iodobenzoic acid

: 1445862-86-1
tert-butyl 2,4-diflouro-5-iodobenzoate

Guidance literature:: With dmap; In tert-butyl alcohol; at 40 ℃;

Reference yield:

: 161531-51-7
2,4-difluoro-5-iodobenzoic acid

: 697762-63-3
C₂₄H₂₄ClF₂NO₄

Guidance literature:: Multi-step reaction with 6 steps

1.1: thionyl chloride / N,N-dimethyl-formamide / toluene / 2 h / 90 °C

2.1: N-ethyl-N,N-diisopropylamine / toluene / 3 h / 90 °C

2.2: 1 h / 20 °C

3.1: potassium carbonate / N,N-dimethyl-formamide / 22.5 h / 0 - 20 °C

4.1: pyridine; dmap / chloroform / 0.5 h / 10 °C

5.1: bis-triphenylphosphine-palladium(II) chloride / tetrahydrofuran / 1.5 h / 60 °C / Heating / reflux

6.1: sodium hydroxide; water / isopropyl alcohol / 1.5 h / 50 °C

6.2: 1 h / 60 °C

With pyridine; dmap; sodium hydroxide; thionyl chloride; water; potassium carbonate; N-ethyl-N,N-diisopropylamine; bis-triphenylphosphine-palladium(II) chloride; N,N-dimethyl-formamide; In tetrahydrofuran; chloroform; N,N-dimethyl-formamide; isopropyl alcohol; toluene;