ChemSpider 2D Image | 4-Chlorobenzaldehyde | C7H5ClO

4-Chlorobenzaldehyde

  • Molecular FormulaC7H5ClO
  • Average mass140.567 Da
  • Monoisotopic mass140.002899 Da
  • ChemSpider ID21106019

More details:

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

104-88-1 [RN]
203-247-4 [EINECS]
385858 [Beilstein]
4-Chlorbenzaldehyd [German] [ACD/IUPAC Name]
4-Chlorobenzaldehyde [ACD/IUPAC Name]
4-Chlorobenzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 4-chloro- [ACD/Index Name]
p-Chlorobenzaldehyde
VHR DG [WLN]
4-Chloranylbenzaldehyde
More...

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

E67727UP9Z [DBID]
112216_ALDRICH [DBID]
23491_FLUKA [DBID]
AI3-52280 [DBID]
c0418 [DBID]
C06648 [DBID]
CCRIS 4693 [DBID]
CCRIS 857 [DBID]
MFCD00003379 [DBID] [MDL number]
NCGC00091804-01 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous

    • Appearance:

      colourless to light yellow crystalline powder OU Chemical Safety Data (No longer updated) More details

    • Stability:

      Stable, but air and light-sensitive. Incompatible with strong bases,strong reducing agents, strong oxidizing agents. OU Chemical Safety Data (No longer updated) More details

    • Toxicity:

      ORL-RAT LD50 1575 mg kg-1, ORL-MUS LD50 1400 mg kg-1 OU Chemical Safety Data (No longer updated) More details

    • Safety:

      22-36/38-51/53 Alfa Aesar A12757
      26-36/37-57-60 Alfa Aesar A12757
      26-36/37-61 Alfa Aesar A12757
      9 Alfa Aesar A12757
      H302-H315-H319-H411 Alfa Aesar A12757
      P280h-P273-P305+P351+P338 Alfa Aesar A12757
      Safety glasses, adequate ventilation. OU Chemical Safety Data (No longer updated) More details
      Warning Alfa Aesar A12757
      WARNING: Irritates skin and eyes, harmful if swallowed Alfa Aesar A12757
  • Gas Chromatography

    • Retention Index (Kovats):

      1162 (estimated with error: 89) NIST Spectra mainlib_290771, replib_3749, replib_228282, replib_269203, replib_286387
      1122.6 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 5 m; Column type: Packed; Start T: 160 C; CAS no: 104881; 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
      1113.2 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 5 ft; Column type: Packed; Start T: 150 C; CAS no: 104881; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb G HP; Data type: Kovats RI; Authors: Maeck, M.; Touabet, A.; Badjah Hadj Ahmed, A.Y.; Meklati, B.Y., A numerical interpolation of Kovats indices without dead time correction, Chromatographia, 27(5/6), 1989, 205-208.) NIST Spectra nist ri
      1137 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 180 C; CAS no: 104881; Active phase: SE-30; Carrier gas: N2; Substrate: Chromosorb A AW; Data type: Kovats RI; Authors: Oszczapowicz, J.; Osek, J.; Ciszkowski, K.; Krawczyk, W.; Ostrowski, M., Retention Indices of Dimethylbenzamidines and Benzylideneamines on a Non-Polar Column, J. Chromatogr., 330, 1985, 79-85.) 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: 213.7±13.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.0±3.0 kJ/mol
Flash Point: 87.8±0.0 °C
Index of Refraction: 1.585
Molar Refractivity: 37.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.39
ACD/KOC (pH 5.5): 372.09
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.39
ACD/KOC (pH 7.4): 372.09
Polar Surface Area: 17 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 113.1±3.0 cm3

Click to predict properties on the Chemicalize site


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