1-Isopropyl-1H-pyrazole-4-carboxylic acid

Base Information

• Chemical Name: 1-Isopropyl-1H-pyrazole-4-carboxylic acid
• CAS No.: 436096-96-7
• Molecular Formula: C7H10N2O2
• Molecular Weight: 154.169
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID20354830
• Wikidata: Q82133285
• Mol file: 436096-96-7.mol

Synonyms:1-Isopropyl-1H-pyrazole-4-carboxylic acid;436096-96-7;1-propan-2-ylpyrazole-4-carboxylic acid;1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid;MFCD03701700;1-isopropylpyrazole-4-carboxylic acid;ChemDiv3_006931;SCHEMBL2057002;DTXSID20354830;VGEBYDKBJHWBGS-UHFFFAOYSA-N;HMS1492L01;BBL030073;STK347660;AKOS000309017;AB15811;IDI1_024841;1-ISOPROPYLPYRAZOLE-4-CARBOXYLATE;AS-50452;SY079030;1-isopropyl-1 h-pyrazole-4-carboxylic acid;AM20100140;BB 0253146;CS-0054998;FT-0694375;EN300-92700;P10272;1H-Pyrazole-4-carboxylicacid,1-(1-methylethyl)-;A826377;1-Isopropyl-1H-pyrazole-4-carboxylic acid, AldrichCPR;F2169-0517

Chemical Property of 1-Isopropyl-1H-pyrazole-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000617mmHg at 25°C
• Boiling Point: 297.2°C at 760 mmHg
• PKA: 3.85±0.10(Predicted)
• Flash Point: 133.5°C
• PSA: 55.12000
• Density: 1.23±0.1 g/cm3(Predicted)
• LogP: 1.16220
• Storage Temp.: Room temperature.
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.074227566
• Heavy Atom Count: 11
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

1-Isopropyl-1H-pyrazole-4-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N1C=C(C=N1)C(=O)O