2-Bromo-4,6-difluorobenzoic acid

Base Information

Chemical Name:2-Bromo-4,6-difluorobenzoic acid
CAS No.:651026-99-2
Molecular Formula:C₇H₃BrF₂O₂
Molecular Weight:237
Hs Code.:2916399090
European Community (EC) Number:814-133-4
DSSTox Substance ID:DTXSID10456973
Nikkaji Number:J2.011.019H
Wikidata:Q82279626
Mol file:651026-99-2.mol

Synonyms:2-Bromo-4,6-difluorobenzoic acid;651026-99-2;Benzoic acid, 2-bromo-4,6-difluoro-;2-Bromo-4,6-difluorobenzoicacid;MFCD23713104;SCHEMBL20231916;DTXSID10456973;2,4-Difluoro-6-bromobenzoic acid;BBB02699;AKOS024264364;AS-19879;CS-0068420;2-Bromo-4,6-difluorobenzoic acid, AldrichCPR;C13330;EN300-249952;A902965

Suppliers and Price of 2-Bromo-4,6-difluorobenzoic 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-Bromo-4,6-difluorobenzoicAcid
1g
$ 495.00

TRC
2-Bromo-4,6-difluorobenzoicAcid
100mg
$ 100.00

SynQuest Laboratories
2-Bromo-4,6-difluorobenzoic acid
1 g
$ 225.00

SynQuest Laboratories
2-Bromo-4,6-difluorobenzoic acid
250 mg
$ 95.00

SynQuest Laboratories
2-Bromo-4,6-difluorobenzoic acid
10 g
$ 1125.00

SynQuest Laboratories
2-Bromo-4,6-difluorobenzoic acid
5 g
$ 675.00

Apolloscientific
2-Bromo-4,6-difluorobenzoicacid 95%
5g
$ 696.00

Apolloscientific
2-Bromo-4,6-difluorobenzoicacid 95%
10g
$ 1160.00

Apolloscientific
2-Bromo-4,6-difluorobenzoicacid 95%
1g
$ 232.00

AOBChem
2-Bromo-4,6-difluorobenzoicacid 97%
500mg
$ 131.00

Total 10 raw suppliers

Chemical Property of 2-Bromo-4,6-difluorobenzoic acid

Chemical Property:

Melting Point:91-93 °C(Solv: pentane (109-66-0))
Boiling Point:276.3±40.0 °C(Predicted)
PKA:1.86±0.10(Predicted)
PSA：37.30000
Density:1.872±0.06 g/cm3(Predicted)
LogP:2.42550
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:235.92845
Heavy Atom Count:12
Complexity:188

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-4,6-difluorobenzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C=C(C(=C1F)C(=O)O)Br)F
Uses 2-Bromo-4,6-difluorobenzoic Acid is a useful synthetic and research intermediate.

Technology Process of 2-Bromo-4,6-difluorobenzoic acid

There total 6 articles about 2-Bromo-4,6-difluorobenzoic 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: 94.0%

: 651027-09-7
2-bromo-4,6-difluoro-5-(triethylsilyl)benzoic acid

: 651026-99-2
2-bromo-4,6-difluoro-benzoic acid

Guidance literature:: With potassium hydroxide; In ethanol; water; for 2h; Heating;
DOI:10.1002/ejoc.200300354

Reference yield:

: 651027-03-1
(3-bromo-2,6-difluorophenyl)triethylsilane

: 651026-99-2
2-bromo-4,6-difluoro-benzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 82 percent / diisopropylamine; butyllithium / hexane; tetrahydrofuran / -75 °C

2: butyllithium / hexane; diethyl ether / 0.25 h / -100 °C

3: 94 percent / potassium hydroxide / ethanol; H₂O / 2 h / Heating

With potassium hydroxide; n-butyllithium; diisopropylamine; In tetrahydrofuran; diethyl ether; ethanol; hexane; water;
DOI:10.1002/ejoc.200300354

Reference yield:

: 651027-02-0
1-triethylsilyl-2,6-difluorobenzene

: 651026-99-2
2-bromo-4,6-difluoro-benzoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 92 percent / sec-butyllithium; bromine / cyclohexane; tetrahydrofuran / 0.75 h

2: 82 percent / diisopropylamine; butyllithium / hexane; tetrahydrofuran / -75 °C

3: butyllithium / hexane; diethyl ether / 0.25 h / -100 °C

4: 94 percent / potassium hydroxide / ethanol; H₂O / 2 h / Heating

With potassium hydroxide; n-butyllithium; bromine; sec.-butyllithium; diisopropylamine; In tetrahydrofuran; diethyl ether; ethanol; hexane; cyclohexane; water;
DOI:10.1002/ejoc.200300354