ChemSpider 2D Image | Methyl 3-chloro-4-(trifluoromethoxy)benzoate | C9H6ClF3O3

Methyl 3-chloro-4-(trifluoromethoxy)benzoate

  • Molecular FormulaC9H6ClF3O3
  • Average mass254.590 Da
  • Monoisotopic mass253.995758 Da
  • ChemSpider ID21429395

More details:

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

3-Chloro-4-(trifluorométhoxy)benzoate de méthyle [French] [ACD/IUPAC Name]
3-Chloro-4-(trifluoromethoxy)benzoic acid methyl ester
773874-04-7 [RN]
Benzoic acid, 3-chloro-4-(trifluoromethoxy)-, methyl ester [ACD/Index Name]
Methyl 3-chloro-4-(trifluoromethoxy)benzoate [ACD/IUPAC Name]
Methyl-3-chlor-4-(trifluormethoxy)benzoat [German] [ACD/IUPAC Name]
3-CHLORO-4-(TRIFLUOROMETHOXY)METHYLBENZOATE
98%
CID 25067384
MFCD04972752

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

Density: 1.4±0.1 g/cm3
Boiling Point: 250.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.8±3.0 kJ/mol
Flash Point: 96.8±15.1 °C
Index of Refraction: 1.469
Molar Refractivity: 50.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 210.82
ACD/KOC (pH 5.5): 1603.46
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 210.82
ACD/KOC (pH 7.4): 1603.46
Polar Surface Area: 36 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 32.3±3.0 dyne/cm
Molar Volume: 179.7±3.0 cm3

Click to predict properties on the Chemicalize site


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