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ChemSpider 2D Image | 2-Chlorobenzaldehyde | C7H5ClO

2-Chlorobenzaldehyde

  • Molecular FormulaC7H5ClO
  • Average mass140.567 Da
  • Monoisotopic mass140.002899 Da
  • ChemSpider ID21106014

More details:






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

2-Chlorobenzaldehyde [ACD/IUPAC Name]
201-956-3 [EINECS]
2-Chlorbenzaldehyd [German] [ACD/IUPAC Name]
2-Chlorobenzaldéhyde [French] [ACD/IUPAC Name]
89-98-5 [RN]
Benzaldehyde, 2-chloro- [ACD/Index Name]
o-Chlorobenzaldehyde
QHR24X1LXK
UNII-QHR24X1LXK
More...

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

CU5075000 [DBID]
MFCD00003304 [DBID]
124974_ALDRICH [DBID]
23470_FLUKA [DBID]
AI3-04254 [DBID]
C059341 [DBID]
CCRIS 5991 [DBID]
HSDB 2727 [DBID]
NCGC00091218-01 [DBID]
NSC 15347 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      colourless to brown liquid OU Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Combustible. Incompatible with strong oxidizing agents, strong bases, iron, strongreducing agents. Moisture and light-sensitive. OU Chemical Safety Data (No longer updated) More details
    • Toxicity:

      IPR-MUS LD50 10 mg kg-1, IVN-RBT LD50 8500 mg kg-1, ORL-RAT LD50 2160 mg kg-1, ORL-MUS LD50 1900 mg kg-1 OU Chemical Safety Data (No longer updated) More details
    • Safety:

      26-45 Alfa Aesar A13488
      34 Alfa Aesar A13488
      8 Alfa Aesar A13488
      Corrosive/Light Sensitive/Air Sensitive/Store under Argon SynQuest 2615-5-X3, 60352
      Danger Alfa Aesar A13488
      Danger Biosynth W-100351
      DANGER: CORROSIVE, burns skin and eyes Alfa Aesar A13488
      GHS05 Biosynth W-100351
      H314 Alfa Aesar A13488
      H314 Biosynth W-100351
      IRRITANT Matrix Scientific 097742
      P280; P305+P351+P338; P310 Biosynth W-100351
      P280-P305+P351+P338-P309-P310 Alfa Aesar A13488
      Safety glasses, adequate ventilation. OU Chemical Safety Data (No longer updated) More details
  • Gas Chromatography
    • Retention Index (Kovats):

      1162 (estimated with error: 89) NIST Spectra mainlib_291316, replib_273394, replib_3747, replib_228409, replib_289557
      1112.7 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 5 m; Column type: Packed; Start T: 140 C; CAS no: 89985; 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
      1122.4 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 5 m; Column type: Packed; Start T: 160 C; CAS no: 89985; 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):

      1105 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 89985; 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
      1106 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 10 K/min; Start T: 40 C; End T: 200 C; End time: 2 min; CAS no: 89985; Active phase: ZB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Kluchinsky, T.A., Jr.; Sheely, M.V.; Savage, P.B.; Smith, P.A., Formation of 2-chlorobenzylidenemalononitrile (CS riot control agent) thermal degradation products at elevated temperatures, J. Chromatogr. A, 952, 2002, 205-213.) NIST Spectra nist ri
    • Retention Index (Linear):

      1131 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Heat rate: 10 K/min; Start T: 40 C; End T: 280 C; End time: 10 min; Start time: 1 min; CAS no: 89985; Active phase: SE-54; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Kostiainen, O., Gas Chromatography in Screening of Chemicals Related to the Chemical Weapons Convention, in Encyclopedia of Analytical Chemistry, Meyers, R.A., ed(s), John Wiley & Sons Ltd, Chichester, 2000, 963-979.) 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: 211.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.8±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: 2.33
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.60
ACD/KOC (pH 5.5): 383.75
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.60
ACD/KOC (pH 7.4): 383.75
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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