Cas no 4098-31-1 (2-(chloromethyl)-5-nitro-Furan)

2-(chloromethyl)-5-nitro-Furan structure
4098-31-1 structure
Product Name:2-(chloromethyl)-5-nitro-Furan
CAS No:4098-31-1
MF:C5H4ClNO3
MW:161.543160438538
CID:332791
PubChem ID:252555
Update Time:2025-04-19

2-(chloromethyl)-5-nitro-Furan Chemical and Physical Properties

Names and Identifiers

    • 2-(chloromethyl)-5-nitro-Furan
    • 2-(chloromethyl)-5-nitrofuran
    • Furan,2-(chloromethyl)-5-nitro-
    • 2-Chlormethyl-5-nitro-furan
    • 2-chloromethyl-5-nitro-furan
    • 2-Chloromethyl-5-nitrofuran
    • 5-Nitro-2-chlor-methyl-furan
    • AC1L5M8A
    • AC1Q3UB2
    • AR-1C8773
    • CTK4I4097
    • NSC74621
    • SureCN6729712
    • AKOS006221695
    • SCHEMBL6729712
    • NSC 74621
    • DTXSID70291266
    • NSC-74621
    • 4098-31-1
    • MDL: MFCD09744686
    • Inchi: 1S/C5H4ClNO3/c6-3-4-1-2-5(10-4)7(8)9/h1-2H,3H2
    • InChI Key: DSOVMPOIRQWUJM-UHFFFAOYSA-N
    • SMILES: ClCC1=CC=C([N+](=O)[O-])O1

Computed Properties

  • Exact Mass: 160.98802
  • Monoisotopic Mass: 160.988
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 135
  • 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: 59?2

Experimental Properties

  • Density: 1.445
  • Boiling Point: 265.5°C at 760 mmHg
  • Flash Point: 114.4°C
  • Refractive Index: 1.536
  • PSA: 56.28
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