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CAS No.: | 94022-99-8 | ||||||||
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Name: | 3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid | ||||||||
Article Data: | 7 | ||||||||
Molecular Structure: | |||||||||
Formula: | C10H9 F3 O2 | ||||||||
Molecular Weight: | 218.175 | ||||||||
Synonyms: | 3-(2-Trifluoromethylphenyl)propanoicacid; 3-[2-(Trifluoromethyl)phenyl]propionic acid | ||||||||
EINECS: | 301-594-7 | ||||||||
Density: | 1.307g/cm3 | ||||||||
Melting Point: | 84-88 °C | ||||||||
Boiling Point: | 266.9°Cat760mmHg | ||||||||
Flash Point: | 115.2°C | ||||||||
Hazard Symbols: | |||||||||
Risk Codes: | R22;R36/37/38 | ||||||||
Safety: |
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PSA: | 37.30000 | ||||||||
LogP: | 2.72260 |
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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
Hazard Codes: Xn
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 (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 .