ChemSpider 2D Image | Chloroxylenol | C8H9ClO

Chloroxylenol

  • Molecular FormulaC8H9ClO
  • Average mass156.609 Da
  • Monoisotopic mass156.034195 Da
  • ChemSpider ID21106017

More details:



Featured data source



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

215-316-6 [EINECS]
4-Chlor-3,5-dimethylphenol [German] [ACD/IUPAC Name]
4-Chloro-3,5-dimethylphenol [ACD/IUPAC Name]
4-Chloro-3,5-diméthylphénol [French] [ACD/IUPAC Name]
4-Chloro-3,5-xylenol
88-04-0 [RN]
Chloroxylenol [USP] [Wiki]
p-Chloro-m-xylenol
Phenol, 4-chloro-3,5-dimethyl- [ACD/Index Name]
2-Chloro-5-hydroxy-1,3-dimethylbenzene
More...

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

24380_FLUKA [DBID]
AI3-08632 [DBID]
AIDS159829 [DBID]
AIDS-159829 [DBID]
BRN 1862539 [DBID]
C14715 [DBID]
C38303_ALDRICH [DBID]
Caswell No. 218 [DBID]
D03473 [DBID]
DivK1c_000801 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      white or cream crystalline powder with a characteristic odour Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Incompatible with strong oxidizing agents. Oxford University Chemical Safety Data (No longer updated) More details
    • Toxicity:

      ORL-RAT LD50 3830 mg kg-1, SKN-RBT LD50 > 1000 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      22-36/38-43 Alfa Aesar B21964
      24-37 Alfa Aesar B21964
      GHS07 Biosynth Q-200842
      H302; H315; H317; H319; H335 Biosynth Q-200842
      H315-H319-H317 Alfa Aesar B21964
      Irritant SynQuest 2701-5-08
      P261; P280; P305+P351+P338 Biosynth Q-200842
      P261-P280-P305+P351+P338-P362-P363-P501a Alfa Aesar B21964
      Safety glasses, adequate ventilation. Oxford University Chemical Safety Data (No longer updated) More details
      Warning Alfa Aesar B21964
      Warning Biosynth Q-200842
      WARNING: Irritates skin and eyes, harmful if swallowed Alfa Aesar B21964
    • Compound Source:

      synthetic Microsource [01500182]
  • Gas Chromatography
    • Retention Index (Kovats):

      1307 (estimated with error: 89) NIST Spectra mainlib_70768, replib_229958, replib_250172
    • Retention Index (Linear):

      1384 (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: 5 K/min; Start T: 40 C; End T: 230 C; End time: 6 min; Start time: 2 min; CAS no: 88040; Active phase: DB-5; Carrier gas: N2; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Colahan-Sederstrom, P.M.; Peterson, D.G., Inhibition of key aroma compound generated during ultrahigh-temperature processing of bovine milk via epicatechin addition, J. Agric. Food Chem., 53, 2005, 398-402.) NIST Spectra nist ri
      2561 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 40 C; End T: 230 C; End time: 6 min; Start time: 2 min; CAS no: 88040; Active phase: DB-FFAP; Carrier gas: N2; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Colahan-Sederstrom, P.M.; Peterson, D.G., Inhibition of key aroma compound generated during ultrahigh-temperature processing of bovine milk via epicatechin addition, J. Agric. Food Chem., 53, 2005, 398-402.) 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: 246.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.3±3.0 kJ/mol
Flash Point: 105.9±25.9 °C
Index of Refraction: 1.558
Molar Refractivity: 42.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 191.24
ACD/KOC (pH 5.5): 1495.42
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 190.43
ACD/KOC (pH 7.4): 1489.01
Polar Surface Area: 20 Å2
Polarizability: 16.9±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 132.4±3.0 cm3

Click to predict properties on the Chemicalize site





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