ChemSpider 2D Image | 1-Iodo-3-nitrobenzene | C6H4INO2

1-Iodo-3-nitrobenzene

  • Molecular FormulaC6H4INO2
  • Average mass249.006 Da
  • Monoisotopic mass248.928665 Da
  • ChemSpider ID21106127

More details:

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

1-Iod-3-nitrobenzol [German] [ACD/IUPAC Name]
1-Iodo-3-nitrobenzene [ACD/IUPAC Name]
1-Iodo-3-nitrobenzène [French] [ACD/IUPAC Name]
211-427-9 [EINECS]
645-00-1 [RN]
Benzene, 1-iodo-3-nitro- [ACD/Index Name]
[645-00-1] [RN]
1- Iodo-3-nitrobenzene
1-Iodo-3-nitro-benzene
1-nitro-3-iodobenzene
More...

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

MFCD00007218 [DBID]
144495_ALDRICH [DBID]
CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography

    • Retention Index (Kovats):

      1480 (estimated with error: 89) NIST Spectra mainlib_70349, replib_228552, replib_290968

    • Retention Index (Normal Alkane):

      1456.5 (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: 12.5 K/min; Start T: 135 C; End T: 235 C; End time: 8.5 min; Start time: 20.5 min; CAS no: 645001; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Schmidt, T.C.; Less, M.; Haas, R.; von Low, E.; Steinbach, K.; Stork, G., Gas chromatographic determination of aromatic amines in water samples after solid-phase extraction and derivatization with iodine. I. Derivatization, J. Chromatogr. A, 810, 1998, 161-172.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.0±0.1 g/cm3
Boiling Point: 280.8±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 49.9±3.0 kJ/mol
Flash Point: 71.7±0.0 °C
Index of Refraction: 1.663
Molar Refractivity: 45.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 105.32
ACD/KOC (pH 5.5): 975.68
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 105.32
ACD/KOC (pH 7.4): 975.68
Polar Surface Area: 46 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 123.3±3.0 cm3

Click to predict properties on the Chemicalize site


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