ChemSpider 2D Image | 3-(Trifluoromethyl)isonicotinic acid | C7H4F3NO2

3-(Trifluoromethyl)isonicotinic acid

  • Molecular FormulaC7H4F3NO2
  • Average mass191.107 Da
  • Monoisotopic mass191.019409 Da
  • ChemSpider ID21442064

More details:

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

3-(Trifluormethyl)isonicotinsäure [German] [ACD/IUPAC Name]
3-(Trifluoromethyl)-4-pyridinecarboxylic acid
3-(Trifluoromethyl)isonicotinic acid [ACD/IUPAC Name]
4-Pyridinecarboxylic acid, 3-(trifluoromethyl)- [ACD/Index Name]
Acide 3-(trifluorométhyl)isonicotinique [French] [ACD/IUPAC Name]
3-(Trifluoromethyl)isonicotinic acid 99%

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Off-White Powder Novochemy [NC-01152]
    • Safety:

      20/21/36/37/39 Novochemy [NC-01152]
      26-37-60 Alfa Aesar H63174
      36/37/38 Alfa Aesar H63174
      36/37/38 Novochemy [NC-01152]
      GHS07; GHS09 Novochemy [NC-01152]
      H315-H319-H335 Alfa Aesar H63174
      H332; H403 Novochemy [NC-01152]
      IRRITANT Matrix Scientific 056465
      Irritant SynQuest 4H21-3-W0, 53143
      Irritant/Store under Argon SynQuest 4H21-3-W0
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-01152]
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar H63174
      R36/37/38 SynQuest 4H21-3-W0, 53143
      R52/53 Novochemy [NC-01152]
      S22,S24/25,S36/37/39,S45 SynQuest 4H21-3-W0, 53143
      Warning Alfa Aesar H63174
      Warning Novochemy [NC-01152]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 352.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 166.9±27.9 °C
Index of Refraction: 1.475
Molar Refractivity: 36.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 50 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 128.7±3.0 cm3

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