Cas no 1004452-00-9 (4-chloro-1-{3-(trifluoromethyl)phenylmethyl}-1H-pyrazol-3-amine)

4-chloro-1-{3-(trifluoromethyl)phenylmethyl}-1H-pyrazol-3-amine structure
1004452-00-9 structure
Product Name:4-chloro-1-{3-(trifluoromethyl)phenylmethyl}-1H-pyrazol-3-amine
CAS No:1004452-00-9
MF:C11H9ClF3N3
MW:275.657471418381
MDL:MFCD02254014
CID:2621322
PubChem ID:7176058
Update Time:2025-09-27

4-chloro-1-{3-(trifluoromethyl)phenylmethyl}-1H-pyrazol-3-amine Chemical and Physical Properties

Names and Identifiers

    • 4-chloro-1-{3-(trifluoromethyl)phenylmethyl}-1H-pyrazol-3-amine
    • 4-chloro-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-3-amine
    • 1004452-00-9
    • 4-chloro-1-[3-(trifluoromethyl)benzyl]-1H-pyrazol-3-amine
    • AKOS000304550
    • 4-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-amine
    • CS-0269091
    • 4-Chloro-1-(3-trifluoromethyl-benzyl)-1H-pyrazol-3-ylamine
    • 4-Chloro-1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-3-amine
    • EN300-227882
    • 4-Chloro-1-(3-(trifluoromethyl)benzyl)-1,2-dihydro-3h-pyrazol-3-imine
    • BBL039489
    • 4-CHLORO-1-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}PYRAZOL-3-AMINE
    • STK348789
    • MDL： MFCD02254014
    • Inchi： 1S/C11H9ClF3N3/c12-9-6-18(17-10(9)16)5-7-2-1-3-8(4-7)11(13,14)15/h1-4,6H,5H2,(H2,16,17)
    • InChI Key： DUWLCAPMTGVIIE-UHFFFAOYSA-N
    • SMILES： ClC1C(N)=NN(C=1)CC1C=CC=C(C(F)(F)F)C=1

Computed Properties

  • Exact Mass: 275.0437095Da
  • Monoisotopic Mass: 275.0437095Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 287
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 43.8?2

Experimental Properties

  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 370.3±42.0 °C at 760 mmHg
  • Flash Point: 177.8±27.9 °C
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

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