Basic information
- Name:
2,4,5-Trifluorophenylacetic acid
- CAS No.:
209995-38-0
- Molecular Structure:
- Formula:
- C8H5F3O2
- Molecular Weight:
- 190.12
- Synonyms:
- Benzeneacetic acid, 2,4,5-trifluoro-;
- Density:
- 1.468 g/cm3
- Melting Point:
- 121-125 °C
- Boiling Point:
- 255 °C at 760 mmHg
- Flash Point:
- 108 °C
- Hazard Symbols:
Xi- Risk Codes:
- 37/38-41
- Safety Description:
- 26-39 Details
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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- .
