Cas no 1006959-59-6 (methyl 1-(butan-2-yl)-1H-pyrazole-5-carboxylate)

methyl 1-(butan-2-yl)-1H-pyrazole-5-carboxylate structure
1006959-59-6 structure
Product Name:methyl 1-(butan-2-yl)-1H-pyrazole-5-carboxylate
CAS No:1006959-59-6
MF:C9H14N2O2
MW:182.219662189484
MDL:MFCD08559031
CID:3060840
PubChem ID:19576738
Update Time:2025-04-21

methyl 1-(butan-2-yl)-1H-pyrazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • methyl 1-(butan-2-yl)-1H-pyrazole-5-carboxylate
    • METHYL 1-SEC-BUTYL-1H-PYRAZOLE-5-CARBOXYLATE
    • METHYL 2-(SEC-BUTYL)PYRAZOLE-3-CARBOXYLATE
    • AKOS000319198
    • EN300-231213
    • Methyl 1-(sec-butyl)-1h-pyrazole-5-carboxylate
    • CS-0295664
    • 1006959-59-6
    • methyl 2-butan-2-ylpyrazole-3-carboxylate
    • STK351546
    • METHYL1-SEC-BUTYL-1H-PYRAZOLE-5-CARBOXYLATE
    • MDL: MFCD08559031
    • Inchi: 1S/C9H14N2O2/c1-4-7(2)11-8(5-6-10-11)9(12)13-3/h5-7H,4H2,1-3H3
    • InChI Key: ABRODKQDHKIDMD-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CC=NN1C(C)CC)=O

Computed Properties

  • Exact Mass: 182.105527694Da
  • Monoisotopic Mass: 182.105527694Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 184
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 44.1?2

Experimental Properties

  • Color/Form: No date available
  • Density: 1.1±0.1 g/cm3
  • Melting Point: No date available
  • Boiling Point: 258.1±13.0 °C at 760 mmHg
  • Flash Point: 109.9±19.8 °C
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

methyl 1-(butan-2-yl)-1H-pyrazole-5-carboxylate Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB500794-100 mg
Methyl 1-sec-butyl-1H-pyrazole-5-carboxylate
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€231.60 2022-03-01
abcr
AB500794-250 mg
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abcr
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abcr
AB500794-5 g
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Enamine
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