METHYL 2,4-DIFLUOROBENZOATE

The Benzoic acid,2,4-difluoro-, methyl ester, with the CAS registry number 106614-28-2, is also known as 2,4-Difluorobenzoicacid methyl ester. It belongs to the product categories of Aromatic Esters; Acids & Esters; Fluorine Compounds; C₈ to C₉; Carbonyl Compounds; Esters. This chemical's molecular formula is C₈H₆F₂O₂ and molecular weight is 172.13. What's more, its systematic name is methyl 2,4-difluorobenzoate. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. What's more, it should be protected from strong oxides.

Physical properties of Benzoic acid,2,4-difluoro-, methyl ester are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/BCF (pH 5.5): 21.92; (5)ACD/KOC (pH 5.5): 317.26; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 26.3 Å²; (10)Index of Refraction: 1.472; (11)Molar Refractivity: 38.01 cm³; (12)Molar Volume: 135.7 cm³; (13)Surface Tension: 33.4 dyne/cm; (14)Density: 1.268 g/cm³; (15)Flash Point: 72.3 °C; (16)Enthalpy of Vaporization: 43.5 kJ/mol; (17)Boiling Point: 198.8 °C at 760 mmHg; (18)Vapour Pressure: 0.354 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. It is irritating to eyes, respiratory system and skin. It has the risk of serious damage to eyes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=C(C=C(C=C1)F)F
(2)InChI: InChI=1S/C8H6F2O2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3
(3)InChIKey: YQUHULOBTDYMAG-UHFFFAOYSA-N