Cas no 64409-12-7 (4′-Mercaptobiphenylcarbonitrile)

4′-Mercaptobiphenylcarbonitrile structure
64409-12-7 structure
Product Name:4′-Mercaptobiphenylcarbonitrile
CAS No:64409-12-7
MF:C13H9NS
MW:211.282261610031
MDL:MFCD22417214
CID:2602191
PubChem ID:329766836
Update Time:2025-04-21

4′-Mercaptobiphenylcarbonitrile Chemical and Physical Properties

Names and Identifiers

    • 4′-Mercapto-[1,1′-biphenyl]-4-carbonitrile
    • 4'-Mercapto-[1,1'-biphenyl]-4-carbonitrile
    • 4'-Mercaptobiphenyl-4-carbonitrile
    • 4'-Mercaptobiphenylcarbonitrile, 97% (GC)
    • 4'-cyanobiphenyl-4-thiol
    • 4'-SULFANYL-[1,1'-BIPHENYL]-4-CARBONITRILE
    • 4-(4-SULFANYLPHENYL)BENZONITRILE
    • 4-(4-mercaptophenyl)benzonitrile
    • ZZSHJNKMDIZSFY-UHFFFAOYSA-N
    • AB10276
    • 64409-12-7
    • SCHEMBL6788032
    • MFCD22417214
    • [1,1'-Biphenyl]-4-carbonitrile, 4'-mercapto-
    • 4′-Mercaptobiphenylcarbonitrile
    • MDL: MFCD22417214
    • Inchi: 1S/C13H9NS/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8,15H
    • InChI Key: ZZSHJNKMDIZSFY-UHFFFAOYSA-N
    • SMILES: SC1C=CC(=CC=1)C1C=CC(C#N)=CC=1

Computed Properties

  • Exact Mass: 211.04557046g/mol
  • Monoisotopic Mass: 211.04557046g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 239
  • 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: 4.2
  • Topological Polar Surface Area: 24.8?2

Experimental Properties

  • Melting Point: 127-132?°C

4′-Mercaptobiphenylcarbonitrile Security Information

  • Symbol: GHS05 GHS09
  • Signal Word:Danger
  • Hazard Statement: H318-H400
  • Warning Statement: P273-P280-P305+P351+P338
  • Hazardous Material transportation number:UN 3077 9 / PGIII
  • WGK Germany:3
  • Hazard Category Code: 41-50
  • Safety Instruction: 26-39-61
  • Hazardous Material Identification: Xi N

4′-Mercaptobiphenylcarbonitrile Pricemore >>

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