ChemSpider 2D Image | Methyl 2-amino-3-fluorobenzoate | C8H8FNO2

Methyl 2-amino-3-fluorobenzoate

  • Molecular FormulaC8H8FNO2
  • Average mass169.153 Da
  • Monoisotopic mass169.053909 Da
  • ChemSpider ID14140980

More details:

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

2-Amino-3-fluorobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-amino-3-fluoro-, methyl ester [ACD/Index Name]
Methyl 2-amino-3-fluorobenzoate [ACD/IUPAC Name]
Methyl-2-amino-3-fluorbenzoat [German] [ACD/IUPAC Name]
MFCD11870179 [MDL number]
144851-82-1 [RN]
2-amino-3-fluorobenzoic acid methyl ester
2-amino-3-fluoro-benzoic acidmethylester

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Black Solid Novochemy [NC-21386]
    • Safety:

      20/21/22 Novochemy [NC-21386]
      20/21/36/37/39 Novochemy [NC-21386]
      GHS07; GHS09 Novochemy [NC-21386]
      H332; H403 Novochemy [NC-21386]
      Harmful/Irritant/Light Sensitive/Keep Cold SynQuest 4658-3-75
      IRRITANT Matrix Scientific 076170
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-21386]
      Warning Novochemy [NC-21386]
      Xn Novochemy [NC-21386]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 246.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.4±3.0 kJ/mol
Flash Point: 103.1±23.2 °C
Index of Refraction: 1.544
Molar Refractivity: 42.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 38.10
ACD/KOC (pH 5.5): 471.20
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 38.10
ACD/KOC (pH 7.4): 471.21
Polar Surface Area: 52 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 133.8±3.0 cm3

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