ChemSpider 2D Image | 1,4-Dichloro-2-nitrobenzene | C6H3Cl2NO2

1,4-Dichloro-2-nitrobenzene

  • Molecular FormulaC6H3Cl2NO2
  • Average mass191.999 Da
  • Monoisotopic mass190.954086 Da
  • ChemSpider ID21111865

More details:






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

1,4-Dichlor-2-nitrobenzol [German] [ACD/IUPAC Name]
1,4-Dichloro-2-nitrobenzene [ACD/IUPAC Name]
1,4-Dichloro-2-nitrobenzène [French] [ACD/IUPAC Name]
2,5-Dichloro-1-nitrobenzene
89-61-2 [RN]
Benzene, 1,4-dichloro-2-nitro- [ACD/Index Name]
1,4-Di chloro-2-Nitrobenzene
1,4-Dichloro-2-nitro-benzene
1-Nitro-2,5-dichlorobenzene
2,5-Dichlornitrobenzen
More...

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

225371_ALDRICH [DBID]
36040_FLUKA [DBID]
36572_RIEDEL [DBID]
NSC 406125 [DBID]
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography
    • Retention Index (Kovats):

      1436 (estimated with error: 89) NIST Spectra mainlib_228963, replib_301755, replib_69642, replib_221962
    • Retention Index (Normal Alkane):

      1367.2 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 40C(2min) =>3C/min =>175C (4min) => 3C/min => 240C => 7C/min=>320C(10min); CAS no: 89612; Active phase: HP-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Lacorte, S.; Guiffard, I.; Fraisse, D.; Barcelo, D., Broad spectrum analysis of 109 priority compounds listed in the 76/464/CEE council directive using solid-phase extraction and GC/EI/MS, Anal. Chem., 72, 2000, 1430-1440.) NIST Spectra nist ri
      1356.6 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.53 mm; Column length: 30 m; Column type: Capillary; Description: 1 min at 120 0C; 120 - 200 0C at 3 deg/min; 200 0C for 2 min; 200 - 250 0C at 8 deg/min; 250 0C for 4 min; CAS no: 89612; Active phase: DB-5; Carrier gas: He; Phase thickness: 1.5 um; Data type: Normal alkane RI; Authors: Lopez-Avila, V.; Benedicto, J.; Baldin, E.; Beckert, W.F., Analysis of classes of compound of environmental concern: I. Nitroaromatic compounds, J. Hi. Res. Chromatogr., 14, 1991, 601-607.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 267.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.5±3.0 kJ/mol
Flash Point: 109.4±21.8 °C
Index of Refraction: 1.596
Molar Refractivity: 42.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 112.79
ACD/KOC (pH 5.5): 1024.80
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 112.79
ACD/KOC (pH 7.4): 1024.80
Polar Surface Area: 46 Å2
Polarizability: 16.9±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 125.2±3.0 cm3

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