Cas no 13369-76-1 (1-Allyl-4-bromo-3,5-dimethyl-1H-pyrazole)

1-Allyl-4-bromo-3,5-dimethyl-1H-pyrazole structure
13369-76-1 structure
Product Name:1-Allyl-4-bromo-3,5-dimethyl-1H-pyrazole
CAS No:13369-76-1
MF:C8H11BrN2
MW:215.090340852737
MDL:MFCD12027154
CID:1070693
PubChem ID:25219564
Update Time:2025-04-20

1-Allyl-4-bromo-3,5-dimethyl-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1-Allyl-4-bromo-3,5-dimethyl-1H-pyrazole
    • 1H-pyrazole, 4-bromo-3,5-dimethyl-1-(2-propen-1-yl)-
    • 4-bromo-3,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrazole
    • 1-allyl-4-bromo-3,5-dimethyl-1H-pyrazole(SALTDATA: FREE)
    • ALBB-006335
    • SCHEMBL2593177
    • STK503843
    • LS-02231
    • MFCD12027154
    • DTXSID70649268
    • AKOS000265854
    • CS-0334427
    • 13369-76-1
    • 4-bromo-3,5-dimethyl-1-prop-2-enylpyrazole
    • 4-bromo-3,5-dimethyl-1-(prop-2-en-1-yl)pyrazole
    • MDL: MFCD12027154
    • Inchi: 1S/C8H11BrN2/c1-4-5-11-7(3)8(9)6(2)10-11/h4H,1,5H2,2-3H3
    • InChI Key: IXFANQSEPSHPIG-UHFFFAOYSA-N
    • SMILES: BrC1C(C)=NN(CC=C)C=1C

Computed Properties

  • Exact Mass: 214.01063
  • Monoisotopic Mass: 214.011
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 149
  • 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
  • Topological Polar Surface Area: 17.8A^2
  • XLogP3: 2.5

Experimental Properties

  • Density: 1.35
  • Boiling Point: 255.4°C at 760 mmHg
  • Flash Point: 108.3°C
  • Refractive Index: 1.556
  • PSA: 17.82
  • LogP: 2.44840

1-Allyl-4-bromo-3,5-dimethyl-1H-pyrazole Security Information

  • HazardClass:IRRITANT

1-Allyl-4-bromo-3,5-dimethyl-1H-pyrazole Pricemore >>

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abcr
AB267420-1 g
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abcr
AB267420-5 g
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abcr
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abcr
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