3-(Pyridin-4-yl)benzoic acid

Base Information

Chemical Name:3-(Pyridin-4-yl)benzoic acid
CAS No.:4385-78-8
Molecular Formula:C12H9NO2
Molecular Weight:199.209
Hs Code.:2933399990
European Community (EC) Number:630-137-7
DSSTox Substance ID:DTXSID80383782
Nikkaji Number:J2.542.265A
Wikidata:Q27455715
ChEMBL ID:CHEMBL3913021
Mol file:4385-78-8.mol

Synonyms:3-(Pyridin-4-yl)benzoic acid;4385-78-8;3-PYRIDIN-4-YL-BENZOIc acid;3-pyridin-4-ylbenzoic Acid;3-Pyrid-4-ylbenzoic acid;3-(4-pyridyl)benzoic acid;3-(4-pyridinyl)benzoic acid;CHEMBL3913021;3-(Pyridin-4-yl)benzoicacid;SCHEMBL207161;YSZC1246;DTXSID80383782;CHEBI:195060;IYGIZNZSONLPSI-UHFFFAOYSA-N;AMY28883;BDBM50195794;MFCD05864808;3-pyrid-4-ylbenzoic acid, AldrichCPR;AKOS004117358;CS-W006260;FS-2599;BB 0222922;FT-0687406;EN300-123092;3-Pyrid-4-yibenzoic acid, C~12~H~9~NO~2~;A854932;J-513085;Q27455715;Z756099064;5FL

Suppliers and Price of 3-(Pyridin-4-yl)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-(Pyridin-4-yl)benzoicAcid
100mg
$ 75.00

TRC
3-(Pyridin-4-yl)benzoicAcid
50mg
$ 60.00

SynQuest Laboratories
3-(Pyridin-4-yl)benzoic acid 95%
1 g
$ 141.00

SynQuest Laboratories
3-(Pyridin-4-yl)benzoic acid 95%
250 mg
$ 42.00

SynChem
3-Pyridin-4-yl-benzoic acid 95+%
1 g
$ 90.00

SynChem
3-Pyridin-4-yl-benzoic acid 95+%
10 g
$ 625.00

SynChem
3-Pyridin-4-yl-benzoic acid 95+%
5 g
$ 325.00

Matrix Scientific
3-Pyridin-4-yl-benzoic acid 95+%
10g
$ 1162.00

Matrix Scientific
3-Pyridin-4-yl-benzoic acid 95+%
5g
$ 759.00

Matrix Scientific
3-Pyridin-4-yl-benzoic acid 95+%
1g
$ 208.00

Total 37 raw suppliers

Chemical Property of 3-(Pyridin-4-yl)benzoic acid

Chemical Property:

Appearance/Colour:White Solid
Vapor Pressure:2.76E-07mmHg at 25°C
Melting Point:268 °C
Refractive Index:1.613
Boiling Point:405 °C at 760 mmHg
PKA:3.78±0.10(Predicted)
Flash Point:198.7 °C
PSA：50.19000
Density:1.241 g/cm³
LogP:2.44680
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:199.063328530
Heavy Atom Count:15
Complexity:224

Purity/Quality:

99%, ^*data from raw suppliers

3-(Pyridin-4-yl)benzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC(=C1)C(=O)O)C2=CC=NC=C2

Technology Process of 3-(Pyridin-4-yl)benzoic acid

There total 3 articles about 3-(Pyridin-4-yl)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: 83.0%

: 1120-87-2
4-bromopyridin

: 25487-66-5
3-Carboxyphenylboronic acid

: 4385-78-8
3-(pyridin-4-yl) benzoic acid

Guidance literature:: With potassium carbonate; bis-triphenylphosphine-palladium(II) chloride; In water; acetonitrile; Reflux;

Reference yield:

: 25487-66-5
3-Carboxyphenylboronic acid

: 19524-06-2
4-bromopyridine hydrochloride

: 4385-78-8
3-(pyridin-4-yl) benzoic acid

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In water; acetonitrile; for 22h; Reflux; Inert atmosphere;
DOI:10.1021/acs.inorgchem.5b02193