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| CAS No.: | 220239-68-9 |
|---|---|
| Name: | 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZOIC ACID |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C8H5F3O3 |
| Molecular Weight: | 206.121 |
| Synonyms: | 4-HYDROXY-3-(TRIFLUOROMETHYL)BENZOIC ACID;RARECHEM AL BE 1191;4-Carboxy-2-(trifluoromethyl)phenol, 5-Carboxy-2-hydroxybenzotrifluoride |
| Density: | 1.539 g/cm3 |
| Melting Point: | 144-147 °C |
| Boiling Point: | 301.7 °C at 760 mmHg |
| Flash Point: | 136.2 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 57.53000 |
| LogP: | 2.10920 |
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Specification
The Benzoic acid,4-hydroxy-3-(trifluoromethyl)- has CAS registry number 220239-68-9. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. This chemical's molecular formula is C8H5F3O3 and molecular weight is 206.12. What's more, its systematic name is 4-Hydroxy-3-(trifluoromethyl)benzoic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about the Benzoic acid,4-hydroxy-3-(trifluoromethyl)- are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): -0.25; (5)ACD/BCF (pH 5.5): 4.14; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 36.03; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 40.04 cm3; (15)Molar Volume: 133.9 cm3; (16)Surface Tension: 42.3 dyne/cm; (17)Density: 1.539 g/cm3; (18)Flash Point: 136.2 °C; (19)Enthalpy of Vaporization: 57.21 kJ/mol; (20)Boiling Point: 301.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00046 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, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1cc(ccc1O)C(=O)O
(2) InChI: InChI=1/C8H5F3O3/c9-8(10,11)5-3-4(7(13)14)1-2-6(5)12/h1-3,12H,(H,13,14)
(3) InChIKey: DPVRVZQEDJVWLS-UHFFFAOYAL