ChemSpider 2D Image | DC2275000 | C6H2Cl3NO2

DC2275000

  • Molecular FormulaC6H2Cl3NO2
  • Average mass226.445 Da
  • Monoisotopic mass224.915115 Da
  • ChemSpider ID21106575

More details:

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

1,2,4-Trichlor-5-nitrobenzol [German] [ACD/IUPAC Name]
1,2,4-Trichloro-5-nitrobenzene [ACD/IUPAC Name]
1,2,4-Trichloro-5-nitrobenzène [French] [ACD/IUPAC Name]
2,4,5-TRICHLORONITROBENZENE
201-931-7 [EINECS]
89-69-0 [RN]
Benzene, 1,2,4-trichloro-5-nitro- [ACD/Index Name]
DC2275000
MFCD00007072 [MDL number]
"2,4,5-TRICHLORONITROBENZENE"
More...

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

0YFY8PZD2M [DBID]
36562_RIEDEL [DBID]
UNII:0YFY8PZD2M [DBID]
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Gas Chromatography

    • Retention Index (Kovats):

      1616 (estimated with error: 89) NIST Spectra mainlib_229701, replib_69621, replib_290554, replib_306794

    • Retention Index (Normal Alkane):

      1464.3 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 1.8 m; Column type: Packed; CAS no: 89690; 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
      1492.8 (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: 89690; 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, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 290.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.9±3.0 kJ/mol
Flash Point: 129.7±25.9 °C
Index of Refraction: 1.609
Molar Refractivity: 47.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 359.74
ACD/KOC (pH 5.5): 2350.60
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 359.74
ACD/KOC (pH 7.4): 2350.60
Polar Surface Area: 46 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 137.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement