Product Name

  • Name

    3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid

  • EINECS 301-594-7
  • CAS No. 94022-99-8
  • Article Data7
  • CAS DataBase
  • Density 1.307g/cm3
  • Solubility
  • Melting Point 84-88 °C
  • Formula C10H9 F3 O2
  • Boiling Point 266.9°Cat760mmHg
  • Molecular Weight 218.175
  • Flash Point 115.2°C
  • Transport Information
  • Appearance
  • Safety
    Hazard Codes Xn
    Risk Statements 22-36/37/38
    Safety Statements 26-36/37
    Hazard Note Harmful
  • Risk Codes R22;R36/37/38   
  • Molecular Structure Molecular Structure of 94022-99-8 (3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid)
  • Hazard Symbols
  • Synonyms 3-(2-Trifluoromethylphenyl)propanoicacid; 3-[2-(Trifluoromethyl)phenyl]propionic acid
  • PSA 37.30000
  • LogP 2.72260

3-[2-(Trifluoromethyl)phenyl]propanoic acid Chemical Properties

Molecule structure of 3-[2-(Trifluoromethyl)phenyl]propanoic acid (CAS NO.94022-99-8):

Product Name: 3-[2-(Trifluoromethyl)phenyl]propanoic acid
Molecular Formula: C10H9F3O2
Molecular Weight: 218.17 g/mol
CAS Registry Number: 94022-99-8
Index of Refraction: 1.474
Molar Refractivity: 46.97 cm3
Molar Volume: 166.8 cm3
Polarizability: 18.62×10-24 cm3
Surface Tension: 33.8 dyne/cm
Density: 1.307 g/cm3 
Melting Point: 84-88 °C
Flash Point: 115.2 °C
Enthalpy of Vaporization: 53.34 kJ/mol
Boiling Point: 266.9 °C at 760 mmHg
Vapour Pressure: 0.00418 mmHg at 25 °C 
SMILES: FC(F)(F)c1ccccc1CCC(O)=O
InChI: InChI=1/C10H9F3O2/c11-10(12,13)8-4-2-1-3-7(8)5-6-9(14)15/h1-4H,5-6H2,(H,14,15)
InChIKey: YTDVNFDGHHHPEE-UHFFFAOYAF
Std. InChI: InChI=1S/C10H9F3O2/c11-10(12,13)8-4-2-1-3-7(8)5-6-9(14)15/h1-4H,5-6H2,(H,14,15)
Std. InChIKey: YTDVNFDGHHHPEE-UHFFFAOYSA-N 
EINECS: 301-594-7
Product Categories of 3-[2-(Trifluoromethyl)phenyl]propanoic acid (CAS NO.94022-99-8): C10; Carbonyl Compounds; Carboxylic Acids

3-[2-(Trifluoromethyl)phenyl]propanoic acid Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 22-36/37/38 
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37:Wear suitable protective clothing and gloves.
Hazard Note: Harmful

3-[2-(Trifluoromethyl)phenyl]propanoic acid Specification

 3-[2-(Trifluoromethyl)phenyl]propanoic acid (CAS NO.94022-99-8) is also named as 3-(o-(alpha,alpha,alpha-Trifluorotolyl))propionic acid ; 2-(Trifluoromethyl)benzenepropanoic acid ; 3-[2-(Trifluoromethyl)phenyl]p .

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