Cas no 885279-52-7 (Methyl 7-bromo-1H-indazole-3-carboxylate)

Methyl 7-bromo-1H-indazole-3-carboxylate structure
885279-52-7 structure
Product Name:Methyl 7-bromo-1H-indazole-3-carboxylate
CAS No:885279-52-7
MF:C9H7BrN2O2
MW:255.068081140518
MDL:MFCD07371616
CID:711659
PubChem ID:53408639
Update Time:2024-12-09

Methyl 7-bromo-1H-indazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 7-bromo-1H-indazole-3-carboxylate
    • 1H-Indazole-3-carboxylicacid, 7-bromo-, methyl ester
    • methyl 7-bromo-2H-indazole-3-carboxylate
    • QC-8116
    • Methyl 7-bromo-1H-indazole-3-carboxylate (ACI)
    • DTXSID80696369
    • METHYL7-BROMO-1H-INDAZOLE-3-CARBOXYLATE
    • CS-0048917
    • AKOS016004539
    • SCHEMBL18512242
    • AS-34500
    • 885279-52-7
    • PB32497
    • DB-077811
    • SY240431
    • MFCD07371616
    • MDL： MFCD07371616
    • Inchi： 1S/C9H7BrN2O2/c1-14-9(13)8-5-3-2-4-6(10)7(5)11-12-8/h2-4H,1H3,(H,11,12)
    • InChI Key： ZWIGZYXFNSNWME-UHFFFAOYSA-N
    • SMILES： O=C(C1C2C(=C(C=CC=2)Br)NN=1)OC

Computed Properties

  • Exact Mass: 253.96900
  • Monoisotopic Mass: 253.969
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 237
  • 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
  • Surface Charge: 0
  • Tautomer Count: 4
  • XLogP3: 2.4
  • Topological Polar Surface Area: 55A^2

Experimental Properties

  • Density: 1.71
  • Boiling Point: 399.674°C at 760 mmHg
  • Flash Point: 195.516°C
  • Refractive Index: 1.676
  • PSA: 54.98000
  • LogP: 2.11200

Methyl 7-bromo-1H-indazole-3-carboxylate Pricemore >>

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M297213-50mg
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Methyl 7-bromo-1H-indazole-3-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Catalysts: 4,5,6,7-Tetrachloro-2′,4′,5′,7′-tetraiodofluorescein Solvents: Acetonitrile ;  1 h, 20 °C
Reference
Bromination of indazoles enhanced by organic-dye, visible-light photoredox catalysis
Hornbrook, Lauren F.; Reed, Connor D.; Lamar, Angus A., Tetrahedron, 2023, 142,

Methyl 7-bromo-1H-indazole-3-carboxylate Raw materials

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