ChemSpider 2D Image | 3-Iodoanisole | C7H7IO

3-Iodoanisole

  • Molecular FormulaC7H7IO
  • Average mass234.034 Da
  • Monoisotopic mass233.954147 Da
  • ChemSpider ID21168886

More details:

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

1-Iod-3-methoxybenzol [German] [ACD/IUPAC Name]
1-Iodo-3-methoxybenzene [ACD/IUPAC Name]
1-Iodo-3-méthoxybenzène [French] [ACD/IUPAC Name]
212-173-1 [EINECS]
3-Iodoanisole
3-Iodophenyl methyl ether
766-85-8 [RN]
Benzene, 1-iodo-3-methoxy- [ACD/Index Name]
[766-85-8] [RN]
1-iodo-3-methoxy-benzene
More...

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

MFCD00001048 [DBID]
242691_ALDRICH [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      26-37 Alfa Aesar A14208
      36/37/38 Alfa Aesar A14208
      H315-H319-H335 Alfa Aesar A14208
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar A14208
      Warning Alfa Aesar A14208
      WARNING: Irritates lungs, eyes, skin Alfa Aesar A14208
  • Gas Chromatography

    • Retention Index (Kovats):

      1274 (estimated with error: 89) NIST Spectra mainlib_238646, replib_118560

    • Retention Index (Normal Alkane):

      1266.1 (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: 766858; 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: 1.7±0.1 g/cm3
Boiling Point: 245.2±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.3±3.0 kJ/mol
Flash Point: 102.1±19.8 °C
Index of Refraction: 1.592
Molar Refractivity: 45.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 106.63
ACD/KOC (pH 5.5): 984.36
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.63
ACD/KOC (pH 7.4): 984.36
Polar Surface Area: 9 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 135.5±3.0 cm3

Click to predict properties on the Chemicalize site


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