2-(difluoromethyl)benzoic Acid

Base Information

Chemical Name:2-(difluoromethyl)benzoic Acid
CAS No.:799814-32-7
Molecular Formula:C8H6F2O2
Molecular Weight:172.131
Hs Code.:2916399090
European Community (EC) Number:690-909-4
DSSTox Substance ID:DTXSID80467591
Wikidata:Q82294610
Mol file:799814-32-7.mol

Synonyms:2-(difluoromethyl)benzoic Acid;799814-32-7;2-difluoroMethylbenzoic acid;MFCD16140191;Benzoic acid, 2-(difluoromethyl)-;2-(difluoromethyl)benzoicAcid;SCHEMBL465752;DTXSID80467591;AMY37431;ZGB81432;CL8042;AKOS005258369;CS-W000090;AS-45988;SY027876;2-(Difluoromethyl)benzoic acid, AldrichCPR;FT-0684605;EN300-98856

Suppliers and Price of 2-(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
2-(Difluoromethyl)benzoicAcid
50mg
$ 45.00

SynQuest Laboratories
2-(Difluoromethyl)benzoic acid
5 g
$ 360.00

SynQuest Laboratories
2-(Difluoromethyl)benzoic acid
1 g
$ 101.00

SynQuest Laboratories
2-(Difluoromethyl)benzoic acid
250 mg
$ 72.00

Matrix Scientific
2-(Difluoromethyl)benzoic acid 97%
1g
$ 64.00

Crysdot
2-(Difluoromethyl)benzoicacid 95+%
5g
$ 250.00

Crysdot
2-(Difluoromethyl)benzoicacid 95+%
1g
$ 85.00

Chemenu
2-(Difluoromethyl)benzoicacid 95%
25g
$ 1047.00

Chemenu
2-(Difluoromethyl)benzoicacid 95%
10g
$ 580.00

Chemenu
2-(Difluoromethyl)benzoicacid 95%
5g
$ 351.00

Total 15 raw suppliers

Chemical Property of 2-(difluoromethyl)benzoic Acid

Chemical Property:

PSA：37.30000
LogP:2.32240
Storage Temp.:under inert gas (nitrogen or Argon) at 2–8 °C
XLogP3:2.7
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

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

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-(difluoromethyl)benzoic Acid

There total 7 articles about 2-(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: 93.0%

: 1018678-48-2
methyl 5-phenyl-2-difluoromethylbenzoate

: 799814-32-7
2-(difluoromethyl)benzoic acid

Guidance literature:: With water; sodium hydroxide; for 0.5h; Reflux;

Reference yield: 87.0%

: 118-90-1
ortho-methylbenzoic acid

: 799814-32-7
2-(difluoromethyl)benzoic acid

Guidance literature:: With sodium persulfate; silver nitrate; Selectfluor; In water; acetonitrile; at 80 ℃; for 3h; Inert atmosphere; Schlenk technique; Cooling with liquid nitrogen;
DOI:10.1002/anie.201400225

Reference yield: 68.0%

: C₂₆H₂₂O₂P⁽¹⁺⁾

: 799814-32-7
2-(difluoromethyl)benzoic acid

Guidance literature:: C₂₆H₂₂O₂P⁽¹⁺⁾; With potassium tert-butylate; In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere;

With N-fluorobis(benzenesulfon)imide; In tetrahydrofuran; at 45 ℃; for 12h; Inert atmosphere;

With water; potassium carbonate; In tetrahydrofuran; at 45 ℃; for 1h; Inert atmosphere;
DOI:10.1021/acs.orglett.1c00457