3-(Difluoromethyl)benzoic acid

Base Information

Chemical Name:3-(Difluoromethyl)benzoic acid
CAS No.:55805-20-4
Molecular Formula:C8H6F2O2
Molecular Weight:172.131
Hs Code.:2916399090
European Community (EC) Number:826-513-7
DSSTox Substance ID:DTXSID00560634
Wikidata:Q82444100
Mol file:55805-20-4.mol

Synonyms:3-(difluoromethyl)benzoic acid;55805-20-4;3-(Difluoromethyl)benzoicacid;MFCD17480442;3-Carboxy-alpha,alpha-difluorotoluene, 3-Carboxybenzal fluoride;SCHEMBL315064;DTXSID00560634;TQU0107;LIACRDFNWIGRCX-UHFFFAOYSA-N;AKOS017350284;AT10610;PS-8664;SY185719;CS-0369116;EN300-69660;Z1117882789

Suppliers and Price of 3-(Difluoromethyl)benzoic 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
3-(Difluoromethyl)benzoicAcid
50mg
$ 65.00

TRC
3-(Difluoromethyl)benzoicAcid
25mg
$ 45.00

SynQuest Laboratories
3-(Difluoromethyl)benzoic acid
250 mg
$ 115.00

SynQuest Laboratories
3-(Difluoromethyl)benzoic acid
1 g
$ 245.00

Crysdot
3-(Difluoromethyl)benzoicacid 95+%
250mg
$ 173.00

Crysdot
3-(Difluoromethyl)benzoicacid 95+%
1g
$ 372.00

Alichem
3-(Difluoromethyl)benzoicacid
1g
$ 267.75

AK Scientific
3-(Difluoromethyl)benzoicacid
2.5g
$ 961.00

AK Scientific
3-(Difluoromethyl)benzoicacid
1g
$ 553.00

Activate Scientific
3-(Difluoromethyl)benzoicacid 95+%
1 g
$ 438.00

Total 11 raw suppliers

Chemical Property of 3-(Difluoromethyl)benzoic acid

Chemical Property:

PSA：37.30000
LogP:2.32240
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:172.03358575
Heavy Atom Count:12
Complexity:170

Purity/Quality:

97% ^*data from raw suppliers

3-(Difluoromethyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-(Difluoromethyl)benzoic acid

There total 5 articles about 3-(Difluoromethyl)benzoic 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: 78.0%

: methyl 3-(difluoromethyl)benzoate

: 55805-20-4
3-(difluoromethyl)benzoic acid

Guidance literature:: With lithium hydroxide; In tetrahydrofuran; at 20 ℃; for 20h;

Reference yield: 65.0%

: 99-04-7
m-Toluic acid

: 55805-20-4
3-(difluoromethyl)benzoic acid

Guidance literature:: With dipotassium peroxodisulfate; Selectfluor; In water; acetonitrile; at 80 ℃; for 12h; Sealed tube;
DOI:10.1039/c4ob02418d