2-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID

The Benzoic acid,2-fluoro-4-(trifluoromethyl)-, with the CAS registry number 115029-24-8, is also known as 2-Fluoro-4-(trifluoromethyl)benzoic acid 98%. It belongs to the product categories of Fluorobenzene; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Carboxylic Acids; Phenyls & Phenyl-Het; Miscellaneous; Carboxylic Acids; Phenyls & Phenyl-Het; C8; Carbonyl Compounds. This chemical's molecular formula is C₈H₄F₄O₂ and molecular weight is 208.11. Its IUPAC name is called 2-fluoro-4-(trifluoromethyl)benzoic acid. This chemical is white crystals which you should store it in closed containers and store in a cool, dry warehouse.

Physical properties of Benzoic acid,2-fluoro-4-(trifluoromethyl)-: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.31; (4)ACD/LogD (pH 7.4): -0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.29; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.458; (13)Molar Refractivity: 38.15 cm³; (14)Molar Volume: 139.6 cm³; (15)Surface Tension: 32.5 dyne/cm; (16)Density: 1.489 g/cm³; (17)Flash Point: 93.7 °C; (18)Enthalpy of Vaporization: 49.46 kJ/mol; (19)Boiling Point: 231.4 °C at 760 mmHg; (20)Vapour Pressure: 0.0349 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. When you have used it, you should take off immediately all contaminated clothing. What's more, whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)F)C(=O)O
(2)InChI: InChI=1S/C8H4F4O2/c9-6-3-4(8(10,11)12)1-2-5(6)7(13)14/h1-3H,(H,13,14)
(3)InChIKey: OCIYTBZXTFPSPI-UHFFFAOYSA-N