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ChemSpider 2D Image | Methyl 4-methoxy-2-nitrobenzoate | C9H9NO5

Methyl 4-methoxy-2-nitrobenzoate

  • Molecular FormulaC9H9NO5
  • Average mass211.171 Da
  • Monoisotopic mass211.048065 Da
  • ChemSpider ID21168655

More details:

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

181871-73-8 [RN]
4-Méthoxy-2-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-methoxy-2-nitro-, methyl ester [ACD/Index Name]
Methyl 4-methoxy-2-nitrobenzoate [ACD/IUPAC Name]
Methyl-4-methoxy-2-nitrobenzoat [German] [ACD/IUPAC Name]
[181871-73-8] [RN]
4-methoxy-2-nitrobenzoic acid methyl ester
4-Methoxy-2-nitrobenzoic acid methyl ester

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-23545]
    • Safety:

      20/21/22 Novochemy [NC-23545]
      20/21/36/37/39 Novochemy [NC-23545]
      GHS07; GHS09 Novochemy [NC-23545]
      H332; H403 Novochemy [NC-23545]
      Irritant SynQuest 4H54-1-BA
      P301+P310; P337+P313 Novochemy [NC-23545]
      Warning Novochemy [NC-23545]
      Xn Novochemy [NC-23545]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 336.0±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.9±3.0 kJ/mol
Flash Point: 158.5±24.3 °C
Index of Refraction: 1.541
Molar Refractivity: 51.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.33
ACD/KOC (pH 5.5): 311.09
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.33
ACD/KOC (pH 7.4): 311.09
Polar Surface Area: 81 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 163.2±3.0 cm3

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