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  • 2,4,5-Trifluorophenylacetic acid
Name:2,4,5-Trifluorophenylacetic acid
CAS No:209995-38-0

PRODUCT DESCRIPTION

【Name】
2,4,5-Trifluorophenylacetic acid
【Iupac name】
2-(2,4,5-trifluorophenyl)acetic acid
【CAS Registry number】
209995-38-0
【Synonyms】
Benzeneacetic acid, 2,4,5-trifluoro-
【Molecular Formula】
C8H5F3O2 (Products with the same molecular formula)
【Molecular Weight】
190.12
【Inchi】
InChI=1/C8H5F3O2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2H2,(H,12,13)
【Canonical SMILES】
C1=C(C(=CC(=C1F)F)F)CC(=O)O
【MOL File】
209995-38-0.mol

Chemical and Physical Properties

【Appearance】
white or off white power
【Density】
1.468 g/cm3
【Melting Point】
121-125℃
【Boiling Point】
255 oC at 760 mmHg
【Vapour】
0.00866mmHg at 25°C
【Refractive Index】
1.488
【Flash Point】
108 oC
【Computed Properties】
Molecular Weight:190.11931 [g/mol]
Molecular Formula:C8H5F3O2
XLogP3-AA:1.7
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:2
Exact Mass:190.024164
MonoIsotopic Mass:190.024164
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Formal Charge:0
Complexity:198
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Anion Count:1
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:6

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R37/38;R41
【Safety Statements 】
S26;S39
【HazardClass】
IRRITANT
【Hazard Note】

Irritant

【Safety】

Safety Information of 2,4,5-Trifluorophenylacetic acid (CAS NO.209995-38-0):
Hazard Codes:?IrritantXi
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- .

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