ChemSpider 2D Image | 4'-Fluoroacetophenone | C8H7FO

4'-Fluoroacetophenone

  • Molecular FormulaC8H7FO
  • Average mass138.139 Da
  • Monoisotopic mass138.048096 Da
  • ChemSpider ID21112023

More details:






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

1-(4-Fluorophenyl)ethanone [ACD/IUPAC Name]
1-(4-Fluorophényl)éthanone [French] [ACD/IUPAC Name]
1-(4-Fluorphenyl)ethanon [German] [ACD/IUPAC Name]
206-960-9 [EINECS]
403-42-9 [RN]
4′-Fluoroacetophenone
4'-Fluoroacetophenone
4-Fluorophenyl methyl ketone
Ethanone, 1-(4-fluorophenyl)- [ACD/Index Name]
FR DV1 [WLN]
More...

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

MFCD00000354 [DBID]
TVQ090602V [DBID]
46450_FLUKA [DBID]
CCRIS 4693 [DBID]
F3207_ALDRICH [DBID]
NSC 30635 [DBID]
NSC30635 [DBID]
UNII:TVQ090602V [DBID]
UNII-TVQ090602V [DBID]
ZINC00157311 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-30229]
    • Safety:

      20/21/22 Novochemy [NC-30229]
      20/21/36/37/39 Novochemy [NC-30229]
      23-26-37-60 Alfa Aesar A13950
      36/37/38 Alfa Aesar A13950
      GHS07 Biosynth W-106360
      GHS07; GHS09 Novochemy [NC-30229]
      H315; H319; H335 Biosynth W-106360
      H315-H319-H335 Alfa Aesar A13950
      H332; H403 Novochemy [NC-30229]
      Irritant SynQuest 2617-3-04T, 15945, 2617-3-04
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-30229]
      P261; P305+P351+P338 Biosynth W-106360
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar A13950
      R22 Novochemy [NC-30229]
      Warning Alfa Aesar A13950
      Warning Biosynth W-106360
      Warning Novochemy [NC-30229]
      WARNING: Irritates lungs, eyes, skin Alfa Aesar A13950
  • Gas Chromatography
    • Retention Index (Kovats):

      1004 (estimated with error: 89) NIST Spectra mainlib_235990, replib_3576
      1029 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 5 m; Column type: Packed; Start T: 120 C; CAS no: 403429; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb G HP; Data type: Kovats RI; Authors: Righezza, M.; Hassani, A.; Meklati, B.Y.; Chretien, J.R., Quantitative structure-retention relationships (QSRR) of congeneric aromatics series studied on phenyl OV phases in gas chromatography, J. Chromatogr. A, 723, 1996, 77-91.) NIST Spectra nist ri
      1029.7 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 5 m; Column type: Packed; Start T: 130 C; CAS no: 403429; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb G HP; Data type: Kovats RI; Authors: Righezza, M.; Hassani, A.; Meklati, B.Y.; Chretien, J.R., Quantitative structure-retention relationships (QSRR) of congeneric aromatics series studied on phenyl OV phases in gas chromatography, J. Chromatogr. A, 723, 1996, 77-91.) NIST Spectra nist ri
      1040.7 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 5 m; Column type: Packed; Start T: 140 C; CAS no: 403429; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb G HP; Data type: Kovats RI; Authors: Righezza, M.; Hassani, A.; Meklati, B.Y.; Chretien, J.R., Quantitative structure-retention relationships (QSRR) of congeneric aromatics series studied on phenyl OV phases in gas chromatography, J. Chromatogr. A, 723, 1996, 77-91.) NIST Spectra nist ri
      1047.6 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 5 m; Column type: Packed; Start T: 160 C; CAS no: 403429; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb G HP; Data type: Kovats RI; Authors: Hassani, A.; Meklati, B.Y., Gas chromatographic behaviour of monosubstituted benzenes, benzaldehydes and acetophenones on OV polymethylphenyl-silicone stationary phases, Chromatographia, 33(5/6), 1992, 267-271.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      1029 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 403429; Active phase: OV-101; Data type: Normal alkane RI; Authors: Ebrahimi, P.; Hadjmohammadi, M.R., Simultaneous modeling of the Kovats retention indices on phenyl OV stationary phases with different polarity using MLR and ANN, QSAR Comb. Sci., , 2006, 836-845.) 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: 196.7±13.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.3±3.0 kJ/mol
Flash Point: 71.1±0.0 °C
Index of Refraction: 1.491
Molar Refractivity: 36.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.31
ACD/KOC (pH 5.5): 184.96
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 10.31
ACD/KOC (pH 7.4): 184.96
Polar Surface Area: 17 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 32.8±3.0 dyne/cm
Molar Volume: 125.2±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement