3-phenyl-1H-pyrazole-4-carboxylic acid

Base Information

Chemical Name:3-phenyl-1H-pyrazole-4-carboxylic acid
CAS No.:5504-65-4
Molecular Formula:C10H8N2O2
Molecular Weight:188.186
Hs Code.:2933199090
European Community (EC) Number:623-399-9
DSSTox Substance ID:DTXSID20399786
Nikkaji Number:J2.946.224K
Wikidata:Q72498483
Mol file:5504-65-4.mol

Synonyms:3-phenyl-1H-pyrazole-4-carboxylic acid;5504-65-4;5-Phenyl-1H-pyrazole-4-carboxylic acid;3-PHENYL-1H-PYRAZOLE-4-CARBOXYLICACID;ChemDiv2_003454;3-phenylpyrazole-4-carboxylic acid;SCHEMBL415485;DTXSID20399786;LGTJKUYVFSBOMC-UHFFFAOYSA-N;HMS1378M22;KUC106914N;MFCD03834501;MFCD06798067;STK500652;AKOS000300068;AKOS022536655;BS-4021;CCG-202912;KSC-20-062;BB 0239335;EN300-24476;F16837;AP-501/40992296;3-Phenyl-1H-pyrazole-4-carboxylic acid, AldrichCPR;A1-00167;F2124-0637;Z197514700

Suppliers and Price of 3-phenyl-1H-pyrazole-4-carboxylic 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-Phenyl-1H-pyrazole-4-carboxylicacid
50mg
$ 60.00

TRC
3-Phenyl-1H-pyrazole-4-carboxylicacid
250mg
$ 130.00

Sigma-Aldrich
5-Phenyl-1H-pyrazole-4-carboxylic acid
5g
$ 444.00

Sigma-Aldrich
5-Phenyl-1H-pyrazole-4-carboxylic acid
1g
$ 128.00

Matrix Scientific
3-Phenyl-1H-pyrazole-4-carboxylic acid
500mg
$ 195.00

Heterocyclics
3-Phenyl-1H-pyrazole-4-carboxylicacid 95%
1g
$ 100.00

Heterocyclics
3-Phenyl-1H-pyrazole-4-carboxylicacid 95%
5g
$ 400.00

Crysdot
3-Phenyl-1H-pyrazole-4-carboxylicacid 95+%
5g
$ 412.00

Chemenu
3-phenyl-1H-pyrazole-4-carboxylicacid 95+%
1g
$ 259.00

Chemenu
3-phenyl-1H-pyrazole-4-carboxylicacid 95+%
250mg
$ 194.00

Total 19 raw suppliers

Chemical Property of 3-phenyl-1H-pyrazole-4-carboxylic acid

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:278 °C
Refractive Index:1.644
Boiling Point:429.978 °C at 760 mmHg
PKA:3.07±0.10(Predicted)
Flash Point:213.843 °C
PSA：65.98000
Density:1.356 g/cm³
LogP:1.77490
Storage Temp.:2-8°C
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:188.058577502
Heavy Atom Count:14
Complexity:214

Purity/Quality:

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

3-Phenyl-1H-pyrazole-4-carboxylicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi,Xn
Statements: 22
Safety Statements: 22-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=C(C=NN2)C(=O)O

Technology Process of 3-phenyl-1H-pyrazole-4-carboxylic acid

There total 12 articles about 3-phenyl-1H-pyrazole-4-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: 98.0%

: 26033-20-5
3-Phenyl-1H-pyrazole-4-carboxaldehyde

: 5504-65-4
3-phenyl-1H-pyrazole-4-carboxylic acid

Guidance literature:: With sodium hydroxide; potassium permanganate; In water; at 20 - 98 ℃;
DOI:10.1007/s11176-005-0318-7

Reference yield:

: 98-86-2
acetophenone

: 5504-65-4
3-phenyl-1H-pyrazole-4-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: AcONa / ethanol / 0.75 h / Heating

1.2: ethanol / 1 h / Heating

2.1: 87 percent / POCl₃ / 40 - 80 °C

3.1: 98 percent / NaOH; KMnO₄ / H₂O / 20 - 98 °C

With sodium hydroxide; potassium permanganate; sodium acetate; trichlorophosphate; In ethanol; water; 2.1: Vilsmeier formylation;
DOI:10.1007/s11176-005-0318-7