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| CAS No.: | 22893-39-6 |
|---|---|
| Name: | 2-Chloro-5-(trifluoromethyl)phenylacetic acid |
| Article Data: | 2 |
| Molecular Structure: | |
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|
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| Formula: | C9H6ClF3O2 |
| Molecular Weight: | 238.594 |
| Synonyms: | 2-CHLORO-5-(TRIFLUOROMETHYL)PHENYLACETIC ACID;RARECHEM AL BO 0948;3-(Carboxymethyl)-4-chlorobenzotrifluoride |
| Density: | 1.469 g/cm3 |
| Melting Point: | 112-114 °C |
| Boiling Point: | 282.8 °C at 760 mmHg |
| Flash Point: | 124.9 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 37.30000 |
| LogP: | 2.98590 |
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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