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ChemSpider 2D Image | CZ5658000 | C6H4F2

CZ5658000

  • Molecular FormulaC6H4F2
  • Average mass114.093 Da
  • Monoisotopic mass114.028107 Da
  • ChemSpider ID21108550

More details:



Featured data source



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

1,4-Difluorbenzol [German] [ACD/IUPAC Name]
1,4-Difluorobenzene [ACD/IUPAC Name]
1,4-Difluorobenzène [French] [ACD/IUPAC Name]
208-742-9 [EINECS]
540-36-3 [RN]
Benzene, 1,4-difluoro- [ACD/Index Name]
CZ5658000
FR DF BVR [WLN]
para-Difluorobenzene
More...

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

MFCD00000344 [DBID]
Y9FQ2EF0Z6 [DBID]
36910_FLUKA [DBID]
442249_SUPELCO [DBID]
D102202_ALDRICH [DBID]
NSC 10286 [DBID]
NSC10286 [DBID]
UNII:Y9FQ2EF0Z6 [DBID]
UNII-Y9FQ2EF0Z6 [DBID]
ZINC00164664 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      11/1/1936 12:00:00 AM Alfa Aesar A16217
      11-36 Alfa Aesar A16217
      16-23-26-33 Alfa Aesar A16217
      3 Alfa Aesar A16217
      Danger Alfa Aesar A16217
      Danger Biosynth W-105683
      DANGER: FLAMMABLE, causes CNS effects, irritates skin & eyes Alfa Aesar A16217
      DANGER: FLAMMABLE, irritates skin and eyes Alfa Aesar A16217
      FLAMMABLE Matrix Scientific 005187
      Flammable JRD Fluorochemicals [JRD-0119]
      GHS02 Biosynth W-105683
      H225 Biosynth W-105683
      H225-H319 Alfa Aesar A16217
      Highly Flammable/Harmful/Moisture Sensitive/Store under Argon SynQuest 1600-3-04, 8137
      Nov-36 Alfa Aesar A16217
      P210 Biosynth W-105683
      P210-P260-P243-P264-P305+P351+P338 Alfa Aesar A16217
  • Gas Chromatography
    • Retention Index (Kovats):

      630 (estimated with error: 34) NIST Spectra mainlib_107679, replib_1826, replib_158708, replib_235115
    • Retention Index (Normal Alkane):

      665 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 250 C; CAS no: 540363; Active phase: OV-101; Carrier gas: N2/He; Phase thickness: 0.10 um; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Experimentally measured retention indices., 2005.) NIST Spectra nist ri
      664.6 (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: 540363; 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
      686.5 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; CAS no: 540363; Active phase: RTX-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Wentworth, W.E.; Helias, N.; Zlatkis, A.; Chen, E.C.M.; Stearns, S.D., Multiple detector responses for gas chromatography peak identification, J. Chromatogr. A, 795, 1998, 319-347.) NIST Spectra nist ri
    • Retention Index (Linear):

      666 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column length: 3.05 m; Column type: Packed; Heat rate: 10 K/min; Start T: 40 C; End T: 250 C; End time: 60 min; Start time: 4 min; CAS no: 540363; Active phase: SE-30; Carrier gas: He; Substrate: Supelcoport and Chromosorb; Data type: Linear RI; Authors: Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 436, 1988, 137-172.) NIST Spectra nist ri

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

Density: 1.2±0.1 g/cm3
Boiling Point: 90.4±13.0 °C at 760 mmHg
Vapour Pressure: 63.6±0.2 mmHg at 25°C
Enthalpy of Vaporization: 31.8±0.0 kJ/mol
Flash Point: 2.2±0.0 °C
Index of Refraction: 1.449
Molar Refractivity: 26.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 23.93
ACD/KOC (pH 5.5): 337.82
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.93
ACD/KOC (pH 7.4): 337.82
Polar Surface Area: 0 Å2
Polarizability: 10.4±0.5 10-24cm3
Surface Tension: 26.3±3.0 dyne/cm
Molar Volume: 97.9±3.0 cm3

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