Name: 3,4,5-Trifluorophenylacetic acid
SKU: 209991-62-8

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Basic Information

Molecular Structure:
CAS No.:	209991-62-8
Name:	3,4,5-Trifluorophenylacetic acid
Article Data:	2

Formula:	C₈H₅F₃O₂
Molecular Weight:	190.122
Synonyms:	(3,4,5-Trifluorophenyl)aceticacid;3,4,5-Trifluorobenzoic acetic acid;
Density:	1.468 g/cm³
Melting Point:	98-101℃
Boiling Point:	254.6 °C at 760 mmHg
Flash Point:	107.8 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	37.30000
LogP:	1.73100

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Specification

The Benzeneacetic acid,3,4,5-trifluoro-, with the CAS registry number 209991-62-8, is also known as (3,4,5-Trifluorophenyl)aceticacid. It belongs to the product category of Phenylacetic acid. This chemical's molecular formula is C₈H₅F₃O₂ and formula weight is 190.12. What's more, its IUPAC name is 2-(3,4,5-trifluorophenyl)acetic acid.

Physical properties of Benzeneacetic acid,3,4,5-trifluoro- are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.13; (4)ACD/LogD (pH 7.4): -1.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.61; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 37.34 cm³; (15)Molar Volume: 129.5 cm³; (16)Surface Tension: 40.6 dyne/cm; (17)Density: 1.468 g/cm³; (18)Flash Point: 107.8 °C; (19)Enthalpy of Vaporization: 51.99 kJ/mol; (20)Boiling Point: 254.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00885 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Besides you should wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C(=C1F)F)F)CC(=O)O
(2)InChI: InChI=1S/C8H5F3O2/c9-5-1-4(3-7(12)13)2-6(10)8(5)11/h1-2H,3H2,(H,12,13)
(3)InChIKey: PQGPUBAARWWOOP-UHFFFAOYSA-N