1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine

Base Information

• Chemical Name: 1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine
• CAS No.: 1006436-44-7
• Molecular Formula: C₅H₆F₃N₃
• Molecular Weight: 165.118
• Hs Code.: 29331990
• ChEMBL ID: CHEMBL4539236
• DSSTox Substance ID: DTXSID40599125
• Wikidata: Q72492068
• Mol file: 1006436-44-7.mol

Synonyms:1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine;1006436-44-7;1-methyl-3-(trifluoromethyl)pyrazol-4-amine;1H-Pyrazol-4-amine, 1-methyl-3-(trifluoromethyl)-;MFCD04970058;4-Amino-1-methyl-3-(trifluoromethyl)pyrazol;3-(Trifluoromethyl)-1-methyl-1H-pyrazol-4-amine;2247207-74-3;1-Methyl-3-trifluoromethyl-1H-pyrazol-4-ylamine;CHEMBL4539236;SCHEMBL16003320;AMY4943;DTXSID40599125;OHASPUNAEXVWEP-UHFFFAOYSA-N;STK349693;AKOS000310668;CS-W019098;AC-27620;DA-19228;DS-14975;SY021664;4-Amino-1-methyl-3-(trifluoromethyl)pyrazole;EN300-115582;S10464;A897377;3-(Trifluoromethyl)-1-methyl-1H-pyrazol-4-amine,97%

Chemical Property of 1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine

Chemical Property:

• Appearance/Colour: Light yellow solid
• Boiling Point: 225.022 °C at 760 mmHg
• PKA: 0.75±0.10(Predicted)
• Flash Point: 89.89 °C
• PSA: 43.84000
• Density: 1.502 g/cm³
• LogP: 1.60230
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 165.05138169
• Heavy Atom Count: 11
• Complexity: 146

Purity/Quality:

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

1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(C(=N1)C(F)(F)F)N