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CAS No.: | 32857-62-8 |
---|---|
Name: | 4-(Trifluoromethyl)phenylacetic acid |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C9H7F3O2 |
Molecular Weight: | 204.149 |
Synonyms: | Aceticacid, (a,a,a-trifluoro-p-tolyl)-(8CI);(a,a,a-Trifluoro-p-tolyl)aceticacid;2-(4-Trifluoromethylphenyl)acetic acid; |
EINECS: | 251-263-5 |
Density: | 1.357 g/cm3 |
Melting Point: | 82-85 °C(lit.) |
Boiling Point: | 263.1 °C at 760 mmHg |
Flash Point: | 112.9 °C |
Appearance: | white to very pale yellow crystals |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39-36 |
PSA: | 37.30000 |
LogP: | 2.33250 |
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Molecule structure of 4-(Trifluoromethyl)phenylacetic acid (CAS NO.32857-62-8):
IUPAC Name: 2-[4-(Trifluoromethyl)phenyl]acetic acid
Molecular Weight: 204.14589 g/mol
Molecular Formula: C9H7F3O2
Density: 1.357 g/cm3
Melting Point: 82-85 °C(lit.)
Boiling Point: 263.1 °C at 760 mmHg
Flash Point: 112.9 °C
Index of Refraction: 1.475
Molar Refractivity: 42.34 cm3
Molar Volume: 150.3 cm3
Polarizability: 16.78×10-24 cm3
Surface Tension: 33.8 dyne/cm
Enthalpy of Vaporization: 52.92 kJ/mol
Vapour Pressure: 0.0053 mmHg at 25 °C
XLogP3: 2.4
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 2
Exact Mass: 204.039814
MonoIsotopic Mass: 204.039814
Topological Polar Surface Area: 37.3
Heavy Atom Count: 14
Canonical SMILES: C1=CC(=CC=C1CC(=O)O)C(F)(F)F
InChI: InChI=1S/C9H7F3O2/c10-9(11,12)7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)
InChIKey: HNORVZDAANCHAY-UHFFFAOYSA-N
EINECS: 251-263-5
Product Categories: Acids and Derivatives; Aromatic Phenylacetic Acids and Derivatives; Phenylacetic acid
4-(Trifluoromethyl)phenylacetic acid (CAS NO.32857-62-8) is used as pharmaceutical intermediates.
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT
4-(Trifluoromethyl)phenylacetic acid (CAS NO.32857-62-8) is also named as [4-(Trifluoromethyl)phenyl]acetic acid ; benzeneacetic acid, 4-(trifluoromethyl)- ; (.alpha.,.alpha.,.alpha.-Trifluoro-p-tolyl)-acetic acid ; (alpha,alpha,alpha-trifluoro-4-tolyl)acetic acid ; 2-(4-(trifluoromethyl)phenyl)acetic acid ; 2-[4-(Trifluoromethyl)Phenyl]Acetic Acid . 4-(Trifluoromethyl)phenylacetic acid (CAS NO.32857-62-8) is white to very pale yellow crystals.