3,4-Bis(difluoromethoxy)benzoic acid

Base Information

Chemical Name:3,4-Bis(difluoromethoxy)benzoic acid
CAS No.:162401-60-7
Molecular Formula:C9H6F4O4
Molecular Weight:254.138
Hs Code.:2913000090
DSSTox Substance ID:DTXSID001290773
Mol file:162401-60-7.mol

Synonyms:3,4-Bis(difluoromethoxy)benzoic acid;162401-60-7;Benzoic acid, 3,4-bis(difluoromethoxy)-;SCHEMBL1029279;UPVZJUHNXCOOHH-UHFFFAOYSA-M;DTXSID001290773;AKOS028108228;AS-64166;CS-0324240;A12121

Suppliers and Price of 3,4-Bis(difluoromethoxy)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
3,4-Bis(difluoromethoxy)benzoicAcid
1g
$ 1320.00

Total 13 raw suppliers

Chemical Property of 3,4-Bis(difluoromethoxy)benzoic acid

Chemical Property:

Boiling Point:293.3±35.0 °C(Predicted)
PKA:3.71±0.10(Predicted)
PSA：55.76000
Density:1.473±0.06 g/cm3(Predicted)
LogP:2.58760
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:254.02022132
Heavy Atom Count:17
Complexity:261

Purity/Quality:

98% ^*data from raw suppliers

3,4-Bis(difluoromethoxy)benzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1C(=O)O)OC(F)F)OC(F)F
Uses 3,4-Bis(difluoromethoxy)benzoic Acid is an impurity of the antiasthmatic drug Roflumilast (R639700).

Technology Process of 3,4-Bis(difluoromethoxy)benzoic acid

There total 2 articles about 3,4-Bis(difluoromethoxy)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: 91.8%

: 127842-54-0
3,4-bis-(difluoromethoxy)-benzaldehyde

: 162401-60-7
3,4-Bis(difluoromethoxy) benzoic acid

Guidance literature:: With sodium chlorate; aminosulfonic acid;

Reference yield:

: 162401-60-7
3,4-Bis(difluoromethoxy) benzoic acid

Guidance literature:

Reference yield: 31.0%

: 162401-60-7
3,4-Bis(difluoromethoxy) benzoic acid

: C₁₈H₁₇F₄N₃O₃

: C₂₇H₂₁F₈N₃O₆

Guidance literature:: With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; for 1.5h;