Cas no 512810-22-9 (4-Bromo-1-ethyl-1H-pyrazole-3-carboxylic acid)

4-Bromo-1-ethyl-1H-pyrazole-3-carboxylic acid structure
512810-22-9 structure
Product Name:4-Bromo-1-ethyl-1H-pyrazole-3-carboxylic acid
CAS No:512810-22-9
MF:C6H7BrN2O2
MW:219.035980463028
MDL:MFCD03074558
CID:2857478
PubChem ID:853515
Update Time:2025-04-21

4-Bromo-1-ethyl-1H-pyrazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-bromo-1-ethyl-1H-pyrazole-3-carboxylic acid
    • 4-bromo-1-ethylpyrazole-3-carboxylic acid
    • BBL010153
    • SBB020789
    • STK346769
    • ST099254
    • 4-bromo-1-ethyl-1 h-pyrazole-3-carboxylic acid
    • 1H-pyrazole-3-carboxylic acid, 4-bromo-1-ethyl-
    • 4-Bromo-1-ethyl-1H-pyrazole-3-carboxylic acid, AldrichCPR
    • F30592
    • SY080576
    • SCHEMBL3454821
    • 4-bromo-1-ethyl-1H-pyrazole-3-carboxylicacid
    • 512810-22-9
    • AK-968/41170478
    • AKOS000308391
    • EN300-83632
    • Z275128652
    • CS-0217749
    • F2169-0898
    • MFCD03074558
    • AS-48376
    • MVA81022
    • 4-Bromo-1-ethyl-1H-pyrazole-3-carboxylic acid
    • MDL: MFCD03074558
    • Inchi: 1S/C6H7BrN2O2/c1-2-9-3-4(7)5(8-9)6(10)11/h3H,2H2,1H3,(H,10,11)
    • InChI Key: NEGPTEWNTIRADT-UHFFFAOYSA-N
    • SMILES: BrC1C(C(=O)O)=NN(C=1)CC

Computed Properties

  • Exact Mass: 217.96909 g/mol
  • Monoisotopic Mass: 217.96909 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 165
  • 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: 1.1
  • Topological Polar Surface Area: 55.1
  • Molecular Weight: 219.04

Experimental Properties

  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 348.9±27.0 °C at 760 mmHg
  • Flash Point: 164.8±23.7 °C
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

4-Bromo-1-ethyl-1H-pyrazole-3-carboxylic acid Security Information

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