METHYL 3,5-DIFLUOROBENZOATE

The Benzoic acid,3,5-difluoro-, methyl ester, with the CAS registry number of 216393-55-4, is also known as Methyl3,5-difluorobenzoate 98%. It belongs to the product categories of Aromatic Esters; 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 3,5-Difluorobenzoate. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, you should ensure the work place is well-ventilated.

Physical properties about the Benzoic acid,3,5-difluoro-, methyl ester are: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 2.74; (5)ACD/BCF (pH 5.5): 71.06; (6)ACD/BCF (pH 7.4): 71.06; (7)ACD/KOC (pH 5.5): 736.18; (8)ACD/KOC (pH 7.4): 736.18; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 38.01 cm³; (15)Molar Volume: 135.7 cm³; (16)Surface Tension: 33.4 dyne/cm; (17)Density: 1.268 g/cm³; (18)Flash Point: 74.6 °C; (19)Enthalpy of Vaporization: 43.9 kJ/mol; (20)Boiling Point: 202.7 °C at 760 mmHg; (21)Vapour Pressure: 0.288 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
The dust of this chemical can not be breathed. In addition, during using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(C(=O)OC)cc(F)c1
(2) InChI: InChI=1/C8H6F2O2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3
(3) InChIKey: JBEJPGWPXIIQBB-UHFFFAOYAJ