ChemSpider 2D Image | 3-Fluorobenzaldehyde | C7H5FO

3-Fluorobenzaldehyde

  • Molecular FormulaC7H5FO
  • Average mass124.112 Da
  • Monoisotopic mass124.032440 Da
  • ChemSpider ID21169504

More details:

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

207-266-9 [EINECS]
3-Fluorbenzaldehyd [German] [ACD/IUPAC Name]
3-Fluorobenzaldehyde [ACD/IUPAC Name]
3-Fluorobenzaldéhyde [French] [ACD/IUPAC Name]
456-48-4 [RN]
970178 [Beilstein]
Benzaldehyde, 3-fluoro- [ACD/Index Name]
m-Fluorobenzaldehyde
VHR CF [WLN]
[456-48-4] [RN]
More...

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

46560_FLUKA [DBID]
CCRIS 4693 [DBID]
F5005_ALDRICH [DBID]
MFCD00003348 [DBID] [MDL number]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      22-36/37/38 Alfa Aesar A11396
      23-26-36/37 Alfa Aesar A11396
      3 Alfa Aesar A11396
      DANGER: FLAMMABLE, irritates skin and eyes Alfa Aesar A11396
      H226-H302-H315-H319-H335 Alfa Aesar A11396
      P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar A11396
      Warning Alfa Aesar A11396

    • Chemical Class:

      A member of the class of benzaldehydes that is benzaldehyde substituted by a fluoro group at position 3. ChEBI CHEBI:156102
  • Gas Chromatography

    • Retention Index (Kovats):

      957 (estimated with error: 89) NIST Spectra mainlib_342256, replib_233927, replib_108267
      937.6 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 5 m; Column type: Packed; Start T: 140 C; CAS no: 456484; 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
      939.1 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 5 m; Column type: Packed; Start T: 160 C; CAS no: 456484; 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):

      927 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 456484; 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, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 173.2±13.0 °C at 760 mmHg
Vapour Pressure: 1.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.0±3.0 kJ/mol
Flash Point: 56.7±0.0 °C
Index of Refraction: 1.539
Molar Refractivity: 33.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.83
ACD/KOC (pH 5.5): 191.52
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.83
ACD/KOC (pH 7.4): 191.52
Polar Surface Area: 17 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 105.3±3.0 cm3

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