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Search term: MPEOPBCQHNWNFB-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-Chloro-2-iodobenzene | C6H4ClI

1-Chloro-2-iodobenzene

  • Molecular FormulaC6H4ClI
  • Average mass238.453 Da
  • Monoisotopic mass237.904617 Da
  • ChemSpider ID21171406

More details:

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

1-Chlor-2-iodbenzol [German] [ACD/IUPAC Name]
1-Chloro-2-iodobenzene [ACD/IUPAC Name]
1-Chloro-2-iodobenzène [French] [ACD/IUPAC Name]
210-423-4 [EINECS]
615-41-8 [RN]
Benzene, 1-chloro-2-iodo- [ACD/Index Name]
[615-41-8] [RN]
1-chloro-2-iodo-benzene
1-iodo-2-chlorobenzene
2-Chloro-1-iodobenzene
More...

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

MFCD00001033 [DBID]
24910_ALDRICH [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      26-37 Alfa Aesar A18255
      36/37/38 Alfa Aesar A18255
      H315-H319-H335 Alfa Aesar A18255
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar A18255
      Warning Alfa Aesar A18255
      WARNING: Irritates lungs, eyes, skin Alfa Aesar A18255
  • Gas Chromatography

    • Retention Index (Kovats):

      1264 (estimated with error: 89) NIST Spectra mainlib_107478, replib_229140, replib_11520
      1257 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 6 ft; Column type: Packed; Start T: 160 C; CAS no: 615418; Active phase: SE-30; Carrier gas: He; Substrate: Chromosorb W AW DMCS (80-100 mesh); Data type: Kovats RI; Authors: Cook, L.E.; Raushel, F.M., Calculation of retention indices for benzene and benzene derivatives on the basis of molecular structure, J. Chromatogr., 65, 1972, 556-559.) NIST Spectra nist ri

    • Retention Index (Normal Alkane):

      1220.6 (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: 615418; 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

    • Retention Index (Linear):

      1205.9 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; Heat rate: 8 K/min; Start T: 35 C; End T: 300 C; CAS no: 615418; Active phase: OV-1; Data type: Linear RI; Authors: Gautzsch, R.; Zinn, P., Use of incremental models to estimate the retention indexes of aromatic compounds, Chromatographia, 43(3/4), 1996, 163-176.) NIST Spectra nist ri

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

Density: 1.9±0.1 g/cm3
Boiling Point: 234.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.2±3.0 kJ/mol
Flash Point: 111.7±0.0 °C
Index of Refraction: 1.632
Molar Refractivity: 44.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 490.45
ACD/KOC (pH 5.5): 2934.46
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 490.45
ACD/KOC (pH 7.4): 2934.46
Polar Surface Area: 0 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 123.5±3.0 cm3

Click to predict properties on the Chemicalize site


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