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| CAS No.: | 209995-38-0 |
|---|---|
| Name: | 2,4,5-Trifluorophenylacetic acid |
| Article Data: | 27 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C8H5F3O2 |
| Molecular Weight: | 190.122 |
| Synonyms: | Benzeneacetic acid, 2,4,5-trifluoro-; |
| EINECS: | 466-070-3 |
| Density: | 1.468 g/cm3 |
| Melting Point: | 121-125 °C |
| Boiling Point: | 255 °C at 760 mmHg |
| Flash Point: | 108 °C |
| Appearance: | white or off white power |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 37/38-41 |
| Safety: | 26-39 |
| PSA: | 37.30000 |
| LogP: | 1.73100 |
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Chemistry
Molecular Structure of 2,4,5-Trifluorophenylacetic acid (CAS NO.209995-38-0):
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IUPAC Name: 2-(2,4,5-Trifluorophenyl)acetic acid
Molecular Formula: C8H5F3O2
Molecular Weight :190.12
XLogP3-AA: 1.7
H-Bond Donor: 1
H-Bond Acceptor: 5
Index of Refraction: 1.488
Molar Refractivity: 37.34 cm3
Molar Volume: 129.5 cm3
Surface Tension: 40.6 dyne/cm
Density: 1.468 g/cm3
Flash Point: 108 °C
Enthalpy of Vaporization: 52.03 kJ/mol
Boiling Point: 255 °C at 760 mmHg
Vapour Pressure: 0.00866 mmHg at 25 °C
Melting Point: 121-125 °C
Canonical SMILES: C1=C(C(=CC(=C1F)F)F)CC(=O)O
InChI: InChI=1S/C8H5F3O2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2H2,(H,12,13)
InChIKey: YSQLGGQUQDTBSL-UHFFFAOYSA-N
Product Categories: Acetics acid and esters; Benzene series; Phenylacetic acid; Miscellaneous; C8; Carbonyl Compounds; Carboxylic Acids
Safety Profile
Safety Information of 2,4,5-Trifluorophenylacetic acid (CAS NO.209995-38-0):
Hazard Codes: 
Xi
Risk Statements: 37/38-41
R37/38:Irritating to respiratory system and skin.
R41:Risk of serious damage to the eyes.
Safety Statements: 26-39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S39:Wear eye / face protection.
Hazard Note: Irritant
HazardClass: IRRITANT
Specification
2,4,5-Trifluorophenylacetic acid (CAS NO.209995-38-0), its Synonyms are 2,4,5Trifluorophenylaceticacid ; Benzeneacetic acid, 2,4,5-trifluoro- .