5-(trifluoromethyl)pyridine-2-carboxylic Acid

Base Information Edit

Chemical Name:5-(trifluoromethyl)pyridine-2-carboxylic Acid
CAS No.:80194-69-0
Molecular Formula:C7H4F3NO2
Molecular Weight:191.109
Hs Code.:2933399090
European Community (EC) Number:635-973-6
DSSTox Substance ID:DTXSID40448028
Nikkaji Number:J2.008.071J
Wikidata:Q72512696
Mol file:80194-69-0.mol

Synonyms:80194-69-0;5-(trifluoromethyl)pyridine-2-carboxylic Acid;5-(trifluoromethyl)picolinic acid;5-Trifluoromethyl-2-pyridinecarboxylic acid;5-(Trifluoromethyl)-2-pyridinecarboxylic acid;MFCD04113632;2-PYRIDINECARBOXYLIC ACID, 5-(TRIFLUOROMETHYL)-;5-trifluoromethyl-pyridine-2-carboxylic acid;5-(trifluoromethyl)-pyridine-2-carboxylic acid;SCHEMBL211804;DTXSID40448028;BCP20008;AR2108;BBL100541;STL554335;AKOS005072643;AB17699;CS-W008670;FC-0609;NCGC00331098-01;AC-24947;SY015455;5-trifluoromethylpyridine-2-carboxylic acid;A9947;AM20061518;FT-0650009;T2975;EN300-27612;AB01325306-02;5-(Trifluoromethyl)pyridine-2-carboxylic acid, 95%;J-516457;Z235344883;5-(Trifluoromethyl)pyridine-2-carboxylic acid

Suppliers and Price of 5-(trifluoromethyl)pyridine-2-carboxylic Acid

Supply Marketing:Edit

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
5-(Trifluoromethyl)picolinicAcid
50g
$ 245.00

TCI Chemical
5-(Trifluoromethyl)-2-pyridinecarboxylic Acid >98.0%(GC)(T)
5g
$ 125.00

TCI Chemical
5-(Trifluoromethyl)-2-pyridinecarboxylic Acid >98.0%(GC)(T)
1g
$ 34.00

SynQuest Laboratories
5-(Trifluoromethyl)pyridine-2-carboxylic acid 97%
1 g
$ 16.00

Sigma-Aldrich
5-(Trifluoromethyl)pyridine-2-carboxylic acid 95%
500mg
$ 114.00

Medical Isotopes, Inc.
5-(Trifluoromethyl)picolinicacid 95+%
1 g
$ 324.00

Matrix Scientific
5-(Trifluoromethyl)-2-pyridinecarboxylic acid 95%
5g
$ 44.00

Matrix Scientific
5-(Trifluoromethyl)-2-pyridinecarboxylic acid 95%
1g
$ 10.00

Matrix Scientific
5-(Trifluoromethyl)-2-pyridinecarboxylic acid 95%
25g
$ 146.00

Labseeker
5-(Trifluoromethyl)-2-pyridinecarboxylic Acid 95
100g
$ 692.00

Total 103 raw suppliers

Chemical Property of 5-(trifluoromethyl)pyridine-2-carboxylic Acid Edit

Chemical Property:

Vapor Pressure:0.003mmHg at 25°C
Melting Point:135-137 °C
Refractive Index:1.475
Boiling Point:273.738 °C at 760 mmHg
PKA:3.13±0.10(Predicted)
Flash Point:119.353 °C
PSA：50.19000
Density:1.485 g/cm³
LogP:1.79860
Storage Temp.:Room temperature.
Solubility.:DMSO (Slightly), Methanol (Slightly)
Water Solubility.:Slightly soluble in water.
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:191.01941286
Heavy Atom Count:13
Complexity:204

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-(Trifluoromethyl)picolinicAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=NC=C1C(F)(F)F)C(=O)O
Uses 5-(Trifluoromethyl)pyridine-2-carboxylic acid is an intermediate used in the synthesis of β-secretase (BACE) inhibitors.

Technology Process of 5-(trifluoromethyl)pyridine-2-carboxylic Acid

There total 6 articles about 5-(trifluoromethyl)pyridine-2-carboxylic 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: 79.0%

: 67-56-1
methanol

: 201230-82-2
carbon monoxide

: 52334-81-3
2-chloro-5-trifluoromethylpyridine

: 124236-37-9
5-(trifluoromethyl)-pyridine-2-carboxylic acid methyl ester

: 80194-69-0
5-(trifluoromethyl)picolinic acid

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; triethylamine; n-butyl-diphenylphosphane; at 120 ℃; for 3h; under 2280.15 Torr; Autoclave;