4-nitro-5-(trifluoromethyl)-1H-pyrazole

Base Information

• Chemical Name: 4-nitro-5-(trifluoromethyl)-1H-pyrazole
• CAS No.: 1046462-99-0
• Molecular Formula: C4H2F3N3O2
• Molecular Weight: 181.07
• Hs Code.: 2933199090
• European Community (EC) Number: 675-359-5
• Mol file: 1046462-99-0.mol

Synonyms:4-nitro-5-(trifluoromethyl)-1H-pyrazole;1046462-99-0;4-Nitro-5-trifluoromethyl-1H-pyrazole;MFCD04971110;4-nitro-5-(trifluoromethyl)pyrazole;4-nitro-3-(trifluoromethyl)-1H-pyrazole;C4H2F3N3O2;SCHEMBL5021112;SCHEMBL17459027;AMY4795;FFTRSILXQBIOTB-UHFFFAOYSA-N;WRB46299;BBL038863;STK312652;AKOS000311119;AKOS015922093;AKOS025394094;s10469;AS-63112;SY037726;CS-0060155;EN300-135650;J-001214;J-515867;Z1694636532

Chemical Property of 4-nitro-5-(trifluoromethyl)-1H-pyrazole

Chemical Property:

• Boiling Point: 307.2±42.0 °C(Predicted)
• PKA: 6.19±0.50(Predicted)
• PSA: 74.50000
• Density: 1.702±0.06 g/cm3(Predicted)
• LogP: 1.85990
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 181.00991080
• Heavy Atom Count: 12
• Complexity: 189

Purity/Quality:

NLT 98% ^*data from raw suppliers

4-Nitro-5-(trifluoromethyl)-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NNC(=C1[N+](=O)[O-])C(F)(F)F