Cas no 498548-90-6 (2-chloro-6-ethylquinoline-3-carbonitrile)

2-chloro-6-ethylquinoline-3-carbonitrile structure
498548-90-6 structure
Product Name:2-chloro-6-ethylquinoline-3-carbonitrile
CAS No:498548-90-6
MF:C12H9ClN2
MW:216.666261434555
MDL:MFCD03047545
CID:868926
PubChem ID:329773456
Update Time:2025-04-19

2-chloro-6-ethylquinoline-3-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-chloro-6-ethylquinoline-3-carbonitrile
    • AKOS BB-7584
    • AB13045
    • AC1LHBQX
    • CTK8E3957
    • KB-229997
    • CS-0365231
    • G78569
    • MFCD03047545
    • AKOS004121633
    • DTXSID20357684
    • YUA54890
    • 498548-90-6
    • 2-Chloro-6-ethylquinoline-3-carbonitrile, AldrichCPR
    • MDL: MFCD03047545
    • Inchi: 1S/C12H9ClN2/c1-2-8-3-4-11-9(5-8)6-10(7-14)12(13)15-11/h3-6H,2H2,1H3
    • InChI Key: ZZBSVGBZSYQFSD-UHFFFAOYSA-N
    • SMILES: ClC1=C(C#N)C=C2C(C=CC(=C2)CC)=N1

Computed Properties

  • Exact Mass: 216.04500
  • Monoisotopic Mass: 216.0454260g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 270
  • 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: 3.7
  • Topological Polar Surface Area: 36.7?2

Experimental Properties

  • Density: 1.26
  • Boiling Point: 381°C at 760 mmHg
  • Flash Point: 184.2°C
  • Refractive Index: 1.63
  • PSA: 36.68000
  • LogP: 3.32228

2-chloro-6-ethylquinoline-3-carbonitrile 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

2-chloro-6-ethylquinoline-3-carbonitrile Pricemore >>

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