ChemSpider 2D Image | 2,4-Dichloronitrobenzene | C6H3Cl2NO2

2,4-Dichloronitrobenzene

  • Molecular FormulaC6H3Cl2NO2
  • Average mass191.999 Da
  • Monoisotopic mass190.954086 Da
  • ChemSpider ID21106035

More details:






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

2,4-Dichlor-1-nitrobenzol [German] [ACD/IUPAC Name]
2,4-Dichloro-1-nitrobenzene [ACD/IUPAC Name]
2,4-Dichloro-1-nitrobenzène [French] [ACD/IUPAC Name]
2,4-Dichloronitrobenzene
611-06-3 [RN]
Benzene, 2,4-dichloro-1-nitro- [ACD/Index Name]
1-(2-hydroxyphenyl)propan-1-one
1,3-Dichloro-4-nitrobenzene
1-nitro-2,4-dichlorobenzene
2,4-Dichloro-1-nitro-benzene
More...

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

36030_FLUKA [DBID]
45745_RIEDEL [DBID]
BRN 1451655 [DBID]
CCRIS 3095 [DBID]
D68401_ALDRICH [DBID]
ghl.PDMitscherleg0.937 [DBID]
HSDB 4267 [DBID]
NCGC00091267-01 [DBID]
NSC 43196 [DBID]
NSC43196 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Off yellow solid Novochemy [NC-30427]
      yellow crystals Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

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 Oxford University Chemical Safety Data (No longer updated) More details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

      21/22-43-51/53 Alfa Aesar B23749
      36/37-61 Alfa Aesar B23749
      6.1 Alfa Aesar B23749
      Danger Alfa Aesar B23749
      DANGER: POISON, irritates skin, eyes, lungs Alfa Aesar B23749
      GHS07 Biosynth W-105195
      H311-H302-H317-H411 Alfa Aesar B23749
      H315; H319; H335 Biosynth W-105195
      IRRITANT Matrix Scientific 075919
      P261; P305+P351+P338 Biosynth W-105195
      P280h-P262-P273-P309-P310 Alfa Aesar B23749
      Safety glasses, adequate ventilation. Oxford University Chemical Safety Data (No longer updated) More details
      Warning Biosynth W-105195
      WARNING: Irreversible damage risk, protect skin/eyes/lungs. Alfa Aesar B23749
      Xi Abblis Chemicals AB1004103
  • Gas Chromatography
    • Retention Index (Kovats):

      1436 (estimated with error: 89) NIST Spectra mainlib_229432, replib_290628
    • Retention Index (Normal Alkane):

      1334.4 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 1.8 m; Column type: Packed; CAS no: 611063; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb W HP; Data type: Normal alkane RI; Authors: Yurawecz, M.P.; Puma, B.J., Gas chromatographic determination of electron capture sensitive volatile industrial chemical residues in foods, using AOAC pesticide multiresidue extraction and cleanup procedures, J. Ass. Offic. Anal. Chem, 69(1), 1986, 80-86.) NIST Spectra nist ri
      1376.5 (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: 611063; 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
      1365.3 (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: 611063; 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: 258.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.6±3.0 kJ/mol
Flash Point: 116.9±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: 3.00
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 128.42
ACD/KOC (pH 5.5): 1124.55
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 128.42
ACD/KOC (pH 7.4): 1124.55
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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