Methyl 2,5-dibromobenzoate

The Methyl 2,5-dibromobenzoate is an organic compound with the formula C₈H₆Br₂O₂. The IUPAC name of this chemical is methyl 2,5-dibromobenzoate. With the CAS registry number 57381-43-8, it is also named as 2,5-Dibromobenzoic acid methyl ester. The product's categories are Acids & Esters; Bromine Compounds; C8 to C9; Carbonyl Compounds; Esters. Besides, it should be stored in a closed cool and dry place.

Physical properties about Methyl 2,5-dibromobenzoate are: (1)ACD/LogP: 3.25; (2)ACD/LogD (pH 5.5): 3.25; (3)ACD/LogD (pH 7.4): 3.25; (4)ACD/BCF (pH 5.5): 175.1; (5)ACD/BCF (pH 7.4): 175.1; (6)ACD/KOC (pH 5.5): 1403.98; (7)ACD/KOC (pH 7.4): 1403.98; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.583; (12)Molar Refractivity: 53.4 cm³; (13)Molar Volume: 159.6 cm³; (14)Polarizability: 21.17×10^-24cm³; (15)Surface Tension: 44.7 dyne/cm; (16)Density: 1.84 g/cm³; (17)Flash Point: 130 °C; (18)Enthalpy of Vaporization: 53.07 kJ/mol; (19)Boiling Point: 291.3 °C at 760 mmHg; (20)Vapour Pressure: 0.00197 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(Br)ccc1Br
(2)InChI: InChI=1/C8H6Br2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
(3)InChIKey: RBCUIRIGTNHLPS-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H6Br2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
(5)Std. InChIKey: RBCUIRIGTNHLPS-UHFFFAOYSA-N