Cas no 874831-46-6 (4-chloro-5,7-difluoroquinoline)

4-chloro-5,7-difluoroquinoline structure
874831-46-6 structure
Product Name:4-chloro-5,7-difluoroquinoline
CAS No:874831-46-6
MF:C9H4ClF2N
MW:199.584568023682
CID:1898666
PubChem ID:329773632
Update Time:2024-10-26

4-chloro-5,7-difluoroquinoline Chemical and Physical Properties

Names and Identifiers

    • 4-chloro-5,7-difluoroquinoline
    • SureCN4758327
    • KB-87700
    • 4-Chloro-5,7-difluoroquinoline (ACI)
    • SCHEMBL4758327
    • DTXSID60656128
    • 874831-46-6
    • MFCD06808522
    • CS-0371918
    • DB-076981
    • SB67652
    • 4-Chloro-5,7-difluoroquinoline, AldrichCPR
    • MDL: MFCD06808522
    • Inchi: 1S/C9H4ClF2N/c10-6-1-2-13-8-4-5(11)3-7(12)9(6)8/h1-4H
    • InChI Key: ZJTFMBZVSQOTPA-UHFFFAOYSA-N
    • SMILES: FC1C=C2C(C(=CC=N2)Cl)=C(F)C=1

Computed Properties

  • Exact Mass: 199.00000
  • Monoisotopic Mass: 199.0000331g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 191
  • 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: 3
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • PSA: 12.89000
  • LogP: 3.16640

4-chloro-5,7-difluoroquinoline Security Information

  • Symbol: GHS05 GHS07
  • Signal Word:Danger
  • Hazard Statement: H302-H318
  • Warning Statement: P280-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 22-41
  • Safety Instruction: 26-39
  • Hazardous Material Identification: Xn

4-chloro-5,7-difluoroquinoline Pricemore >>

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