| Identification | |
| Name: | Benzenepropanoic acid,3-(trifluoromethyl)- |
| Synonyms: | Hydrocinnamicacid, m-(trifluoromethyl)- (7CI,8CI);3-(3-Trifluoromethylphenyl)propanoicacid;3-Trifluoromethylbenzenepropanoic acid;3-[3-(Trifluoromethyl)phenyl]propionic acid;m-(Trifluoromethyl)hydrocinnamicacid; |
| CAS: | 585-50-2 |
| Molecular Formula: | C10H9F3O2 |
| Molecular Weight: | 218.17 |
| InChI: | InChI=1/C10H9F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-3,6H,4-5H2,(H,14,15) |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.307 g/cm3 |
| Refractive index: | 1.474 |
| Specification: |
The 3-(3-Trifluoromethylphenyl)propionic acid with the CAS number 585-50-2 is also called Benzenepropanoic acid,3-(trifluoromethyl)-. Its molecular formula is C10H9F3O2. This chemical belongs to the following product categories: (1)Carboxylic Acids; (2)Phenyls & Phenyl-Het; (3)Carboxylic Acids; (4)Phenyls & Phenyl-Het. The properties of the chemical are: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): -0.38; (5)ACD/BCF (pH 5.5): 4.15; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 50.63; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 46.97 cm3; (15)Molar Volume: 166.8 cm3; (16)Polarizability: 18.62×10-24cm3; (17)Surface Tension: 33.8 dyne/cm; (18)Enthalpy of Vaporization: 53.53 kJ/mol; (19)Vapour Pressure: 0.00375 mmHg at 25°C. While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You can still convert the following datas into molecular structure: |
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