5-Pyrazol-1-ylmethyl-furan-2-carboxylic acid

Base Information

• Chemical Name: 5-Pyrazol-1-ylmethyl-furan-2-carboxylic acid
• CAS No.: 386736-99-8
• Molecular Formula: C9H8N2O3
• Molecular Weight: 192.17
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20354638
• Mol file: 386736-99-8.mol

Synonyms:386736-99-8;5-(1H-pyrazol-1-ylmethyl)-2-furoic acid;5-Pyrazol-1-ylmethyl-furan-2-carboxylic acid;5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid;5-((1H-Pyrazol-1-yl)methyl)furan-2-carboxylic acid;5-(1H-pyrazol-1-ylmethyl)furan-2-carboxylic acid;5-[(1H-pyrazol-1-yl)methyl]furan-2-carboxylic acid;ChemDiv3_006001;Oprea1_586300;DTXSID20354638;HMS1490A17;BBL013561;CCG-24864;MFCD02253715;STK026972;AKOS000145556;RS-0377;SB61099;WAY-310714;IDI1_023911;5-Pyrazol-1-ylmethylfuran-2-carboxylic acid;BB 0220697;CS-0452077;EU-0016979;EN300-37332;F11812;AB00995180-01;5-(1H-Pyrazol-1-ylmethyl)-2-furoic acid, AldrichCPR;Z240995996

Chemical Property of 5-Pyrazol-1-ylmethyl-furan-2-carboxylic acid

Chemical Property:

• Boiling Point: 414.6 °C at 760 mmHg
• PKA: 3.15±0.10(Predicted)
• Flash Point: 204.5 °C
• PSA: 68.26000
• Density: 1.4 g/cm³
• LogP: 1.22260
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 192.05349212
• Heavy Atom Count: 14
• Complexity: 222

Purity/Quality:

98%min ^*data from raw suppliers

5-(1H-Pyrazol-1-ylmethyl)-2-furoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(N=C1)CC2=CC=C(O2)C(=O)O