Cas no 3357-01-5 (5-Chloro-4-methylisoxazole-3-carboxylic acid)

5-Chloro-4-methylisoxazole-3-carboxylic acid structure
3357-01-5 structure
Product Name:5-Chloro-4-methylisoxazole-3-carboxylic acid
CAS No:3357-01-5
MF:C5H4ClNO3
MW:161.543160438538
MDL:MFCD09864811
CID:295436
PubChem ID:26369893
Update Time:2025-04-19

5-Chloro-4-methylisoxazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Chloro-4-methylisoxazole-3-carboxylic acid
    • 3-Carboxy-4-methyl-5-chlor-isoxazol
    • 3-Carboxy-5-chloro-4-methylisoxazole
    • 3-Isoxazolecarboxylicacid, 5-chloro-4-methyl-
    • 5-chloro-4-methyl-isoxazole-3-carboxylic acid
    • AG-A-85016
    • AK-76106
    • CTK1C1046
    • KB-245692
    • OR13674
    • SureCN1977853
    • 5-Chloro-4-methyl-1,2-oxazole-3-carboxylic acid
    • 3-Isoxazolecarboxylicacid,5-chloro-4-methyl-(7CI,9CI)
    • 3357-01-5
    • SCHEMBL1977853
    • 5-Chloro-4-methyl-isoxazole-3-carboxylicacid
    • CS-0451215
    • 5-Chloro-4-methylisoxazole-3-carboxylicacid
    • DTXSID40650008
    • MDL： MFCD09864811
    • Inchi： 1S/C5H4ClNO3/c1-2-3(5(8)9)7-10-4(2)6/h1H3,(H,8,9)
    • InChI Key： UTIIHJGDHSSJQC-UHFFFAOYSA-N
    • SMILES： ClC1=C(C)C(C(=O)O)=NO1

Computed Properties

  • Exact Mass: 160.98802
  • Monoisotopic Mass: 160.9879707g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 152
  • 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: 1.6
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 335.0±37.0 °C at 760 mmHg
  • Flash Point: 156.4±26.5 °C
  • PSA: 63.33
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

5-Chloro-4-methylisoxazole-3-carboxylic acid Security Information

5-Chloro-4-methylisoxazole-3-carboxylic acid Pricemore >>

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