2-Fluoro-5-methylbenzoic acid is an organic compound with the formula C8H7FO2, and its systematic name is the same with the product name. With the CAS registry number 321-12-0, it is also named as Benzoicacid, 2-fluoro-5-methyl-. It belongs to the product categories of Fluorin-contained Benzoic acid series; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; C8; Carbonyl Compounds; Carboxylic Acids. In addition, the molecular weight is 154.14.
Physical properties of 2-Fluoro-5-methylbenzoic acid are: (1)ACD/LogP: 2.183; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.06; (4)ACD/LogD (pH 7.4): -0.92; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 2.79; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 38.002 cm3; (15)Molar Volume: 122.448 cm3; (16)Polarizability: 15.065×10-24cm3; (17)Surface Tension: 43.34 dyne/cm; (18)Density: 1.259 g/cm3; (19)Flash Point: 110.572 °C; (20)Enthalpy of Vaporization: 52.494 kJ/mol; (21)Boiling Point: 259.219 °C at 760 mmHg; (22)Vapour Pressure: 0.007 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
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 using it, you need to wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(ccc1F)C
(2)Std. InChI: InChI=1S/C8H7FO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
(3)Std. InChIKey: UREMNBHWTNQTMS-UHFFFAOYSA-N
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