ChemSpider 2D Image | 1-Chloro-2-fluorobenzene | C6H4ClF

1-Chloro-2-fluorobenzene

  • Molecular FormulaC6H4ClF
  • Average mass130.547 Da
  • Monoisotopic mass129.998550 Da
  • ChemSpider ID21111912

More details:

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

1-Chlor-2-fluorbenzol [German] [ACD/IUPAC Name]
1-Chloro-2-fluorobenzene [ACD/IUPAC Name]
1-Chloro-2-fluorobenzène [French] [ACD/IUPAC Name]
206-476-8 [EINECS]
348-51-6 [RN]
Benzene, 1-chloro-2-fluoro- [ACD/Index Name]
MFCD00000533 [MDL number]
1-Chloro-2-fluorobenzenemissing
1-Fluoro-2-chlorobenzene
2458-12-0 [RN]
More...

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

162302_ALDRICH [DBID]
CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      10-20-36/37/38 Alfa Aesar B21209
      26-36/37 Alfa Aesar B21209
      3 Alfa Aesar B21209
      DANGER: FLAMMABLE, irritates skin, eyes, lungs Alfa Aesar B21209
      DANGER: FLAMMABLE, POISON, severe irritant Alfa Aesar B21209
      H226-H332-H315-H319-H335 Alfa Aesar B21209
      P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar B21209
      Warning Alfa Aesar B21209
  • Gas Chromatography

    • Retention Index (Kovats):

      835 (estimated with error: 89) NIST Spectra mainlib_107361, replib_2925, replib_20824, replib_158793
      862 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 2 m; Column type: Packed; CAS no: 348516; Active phase: Apiezon M; Substrate: Chromosorb W; Data type: Kovats RI; Authors: Jalali-Heravi, M.; Garkani-Nejad, Z., Prediction of gas chromatographic retention indices of some benzene derivatives, J. Chromatogr., 648, 1993, 389-393.) NIST Spectra nist ri

    • Retention Index (Normal Alkane):

      849.3 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.53 mm; Column type: Capillary; Heat rate: 4 K/min; Start T: 35 C; End T: 220 C; End time: 2 min; Start time: 10 min; CAS no: 348516; Active phase: RTX-1; Carrier gas: He; Phase thickness: 3 um; Data type: Normal alkane RI; Authors: Restek, Restek International, 1999 Product Guide, 1(1), 1999, 578-591, In original 578-591.) NIST Spectra nist ri

    • Retention Index (Linear):

      835.2 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 40 C; End T: 325 C; CAS no: 348516; Active phase: DB-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Sun, G.; Stremple, P., Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB, 2003.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 136.2±13.0 °C at 760 mmHg
Vapour Pressure: 9.2±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.8±3.0 kJ/mol
Flash Point: 31.1±0.0 °C
Index of Refraction: 1.502
Molar Refractivity: 31.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.98
ACD/KOC (pH 5.5): 667.57
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.98
ACD/KOC (pH 7.4): 667.57
Polar Surface Area: 0 Å2
Polarizability: 12.3±0.5 10-24cm3
Surface Tension: 31.6±3.0 dyne/cm
Molar Volume: 105.6±3.0 cm3

Click to predict properties on the Chemicalize site


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