1-(4-chlorophenyl)-5-propyl-1H-pyrazole-4-carboxylic acid

Base Information

• Chemical Name: 1-(4-chlorophenyl)-5-propyl-1H-pyrazole-4-carboxylic acid
• CAS No.: 175137-17-4
• Molecular Formula: C13H13ClN2O2
• Molecular Weight: 264.71
• Hs Code.: 2933199090
• European Community (EC) Number: 672-967-2
• DSSTox Substance ID: DTXSID40380575
• Wikidata: Q82170857
• ChEMBL ID: CHEMBL1351849
• Mol file: 175137-17-4.mol

Synonyms:1-(4-chlorophenyl)-5-propyl-1H-pyrazole-4-carboxylic acid;175137-17-4;1-(4-chlorophenyl)-5-propylpyrazole-4-carboxylic acid;1-(4-Chlorophenyl)-5-propyl-1H-pyrazole-4-carboxylicacid;1H-Pyrazole-4-carboxylic acid, 1-(4-chlorophenyl)-5-propyl-;Maybridge1_003964;MLS000849947;SCHEMBL2079637;CHEMBL1351849;HMS552M04;DTXSID40380575;HMS2777K07;CCG-48827;MFCD00068141;AKOS009158859;SMR000455965;TS-00855;CS-0206517;FT-0605696;A811776;SR-01000638331-1;1H-Pyrazole-4-carboxylicacid,1-(4-chlorophenyl)-5-propyl-;1-(4-chloro-phenyl)-5-propyl-1H-pyrazole-4-carboxylic acid;1-(4-chlorophenyl)-5-propyl-1H-pyrazole-4-carboxylic acid, AldrichCPR

Chemical Property of 1-(4-chlorophenyl)-5-propyl-1H-pyrazole-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.25E-07mmHg at 25°C
• Melting Point: 116 °C
• Refractive Index: 1.609
• Boiling Point: 415 °C at 760 mmHg
• Flash Point: 204.8 °C
• PSA: 55.12000
• Density: 1.3g/cm³
• LogP: 3.17640
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 264.0665554
• Heavy Atom Count: 18
• Complexity: 293

Purity/Quality:

98%min ^*data from raw suppliers

1-(4-Chlorophenyl)-5-propyl-1H-pyrazole-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)O