ChemSpider 2D Image | 4,4-bipyridyl | C10H8N2

4,4-bipyridyl

  • Molecular FormulaC10H8N2
  • Average mass156.184 Da
  • Monoisotopic mass156.068741 Da
  • ChemSpider ID21105699

More details:



Featured data source



Validated by Experts, Validated by Users, Non-Validated, Removed by Users

209-036-3 [EINECS]
4, 4'-Dipyridine
4,4′-bipyridine
4,4′-bipyridyl
4,4'-Bipyridin [German] [ACD/IUPAC Name]
4,4-bipyridine
4,4'-Bipyridine [ACD/Index Name] [ACD/IUPAC Name]
4,4'-Bipyridine [French] [ACD/Index Name] [ACD/IUPAC Name]
4,4-bipyridyl
553-26-4 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

X4O2OD61CB [DBID]
14455_FLUKA [DBID]
289426_ALDRICH [DBID]
36690_RIEDEL [DBID]
AC-907/34121028 [DBID]
AI3-00138 [DBID]
BRN 0113176 [DBID]
CBDivE_014486 [DBID]
CCRIS 2363 [DBID]
CCRIS 4693 [DBID]
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  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-29487]
    • Safety:

      20/21/22 Novochemy [NC-29487]
      20/21/36/37/39 Novochemy [NC-29487]
      21-25 Alfa Aesar A10187
      36/37-45 Alfa Aesar A10187
      6.1 Alfa Aesar A10187
      Danger Alfa Aesar A10187
      DANGER: POISON, irritates skin, eyes, lungs Alfa Aesar A10187
      GHS07; GHS09 Novochemy [NC-29487]
      H301-H311 Alfa Aesar A10187
      H332; H403 Novochemy [NC-29487]
      IRRITANT Matrix Scientific 085014
      P280-P301+P310-P361-P312-P405-P501a Alfa Aesar A10187
      P332+P313; P305+P351+P338 Novochemy [NC-29487]
      R52/53 Novochemy [NC-29487]
      T Abblis Chemicals AB1005082
      Toxic/Irritant/Hygroscopic/Store under Argon SynQuest 3H32-1-1K, 80831
      Warning Novochemy [NC-29487]
    • Chemical Class:

      A bipyridine in which the two pyridine moieties are linked by a bond between positions C-4 and C-4'. ChEBI CHEBI:30985
  • Gas Chromatography
    • Retention Index (Kovats):

      1355 (estimated with error: 83) NIST Spectra mainlib_228653, replib_73542, replib_78050, replib_197502
      1507 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 1.5 m; Column type: Packed; CAS no: 553264; Active phase: SE-30; Carrier gas: He; Substrate: Chromosorb G HP (80-100 mesh); Data type: Kovats RI; Authors: Ramsey, J.D.; Lee, T.D.; Osselton, M.D.; Moffat, A.C., Gas-liquid chromatographic retention indices of 296 non-drug substances on SE-30 or OV-1 likely to be encountered in toxicological analyses, J. Chromatogr., 184, 1980, 185-206.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      1507 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Other; CAS no: 553264; Active phase: Methyl Silicone; Data type: Normal alkane RI; Authors: Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 220, 1981, 195-252.) NIST Spectra nist ri
    • Retention Index (Linear):

      2453 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.24 mm; Column length: 15 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 60 C; End T: 240 C; End time: 21 min; Start time: 5 min; CAS no: 553264; Active phase: CAM; Carrier gas: He; Data type: Linear RI; Authors: Premecz, J.E.; Ford, M.E., Gas chromatographic separation of substituted pyridines, J. Chromatogr., 388, 1987, 23-35.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 304.8±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.3±3.0 kJ/mol
Flash Point: 104.3±12.0 °C
Index of Refraction: 1.581
Molar Refractivity: 47.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.96
ACD/KOC (pH 5.5): 139.33
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 7.00
ACD/KOC (pH 7.4): 140.13
Polar Surface Area: 26 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 141.2±3.0 cm3

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