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2-Chloro-5-(trifluoromethyl)phenylacetic acid

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Name

2-Chloro-5-(trifluoromethyl)phenylacetic acid

EINECS N/A
CAS No. 22893-39-6 Density 1.469 g/cm3
PSA 37.30000 LogP 2.98590
Solubility N/A Melting Point 112-114 °C
Formula C9H6ClF3O2 Boiling Point 282.8 °C at 760 mmHg
Molecular Weight 238.594 Flash Point 124.9 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 22893-39-6 (2-Chloro-5-(trifluoromethyl)phenylacetic acid) Hazard Symbols IrritantXi
Synonyms

2-CHLORO-5-(TRIFLUOROMETHYL)PHENYLACETIC ACID;RARECHEM AL BO 0948;3-(Carboxymethyl)-4-chlorobenzotrifluoride

Article Data 2

2-Chloro-5-(trifluoromethyl)phenylacetic acid Specification

The 2-Chloro-5-(trifluoromethyl)phenylacetic acid, with the CAS registry number of 22893-39-6, is also known as Benzeneacetic acid, 2-chloro-5-(trifluoromethyl)-. It belongs to the product category of Phenylacetic acid. This chemical's molecular formula is C9H6ClF3O2 and molecular weight is 238.59. What's more, its IUPAC name is 2-[2-Chloro-5-(trifluoromethyl)phenyl]acetic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the 2-Chloro-5-(trifluoromethyl)phenylacetic acid are: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.13; (4)ACD/LogD (pH 7.4): -0.56; (5)ACD/BCF (pH 5.5): 1.76; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.2; (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: 1.493; (14) Molar Refractivity: 47.24 cm3; (15)Molar Volume: 162.3 cm3; (16)Surface Tension: 36.3 dyne/cm; (17)Density: 1.469 g/cm3; (18)Flash Point: 124.9 °C; (19)Enthalpy of Vaporization: 55.11 kJ/mol; (20)Boiling Point: 282.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00155 mmHg at 25 °C.

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

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(cc1CC(=O)O)C(F)(F)F
(2) InChI: InChI=1/C9H6ClF3O2/c10-7-2-1-6(9(11,12)13)3-5(7)4-8(14)15/h1-3H,4H2,(H,14,15)
(3) InChIKey: PDKWZFJSOMUXLE-UHFFFAOYAS

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