METHYL 5-BROMOSALICYLATE

The CAS register number of Benzoic acid,5-bromo-2-hydroxy-, methyl ester is 4068-76-2. It also can be called as Methyl 5-bromosalicylate and the IUPAC name about this chemical is methyl 5-bromo-2-hydroxybenzoate. The molecular formula about this chemical is C₈H₇BrO₃ and the molecular weight is 231.04. It belongs to the following product categories which include Aromatic Esters; C8 to C9; Carbonyl Compounds; Esters and so on.

Physical properties about Benzoic acid,5-bromo-2-hydroxy-, methyl ester are: (1)ACD/LogP: 3.15; (2)ACD/LogD (pH 5.5): 3.15; (3)ACD/LogD (pH 7.4): 3.14; (4)ACD/BCF (pH 5.5): 146.26; (5)ACD/BCF (pH 7.4): 143.93; (6)ACD/KOC (pH 5.5): 1234.18; (7)ACD/KOC (pH 7.4): 1214.53; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53Ų; (12)Index of Refraction: 1.585; (13)Molar Refractivity: 47.59 cm³; (14)Molar Volume: 141.9 cm³; (15)Polarizability: 18.86x10^-24cm³; (16)Surface Tension: 50.1 dyne/cm; (17)Flash Point: 115 °C; (18)Enthalpy of Vaporization: 52.49 kJ/mol; (19)Boiling Point: 266.6 °C at 760 mmHg; (20)Vapour Pressure: 0.00522 mmHg at 25°C.

Preparation: this chemical can be prepared by methanol and 5-bromo-2-hydroxy-benzoic acid. This reaction will need reagent hydrogen chloride.

Uses of Benzoic acid,5-bromo-2-hydroxy-, methyl ester: it can be used to produce 2-acetoxy-5-bromo-benzoic acid methyl ester with acetic acid anhydride. This reaction will need reagent sulfuric acid.

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: Brc1cc(C(=O)OC)c(O)cc1
(2)InChI: InChI=1/C8H7BrO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3
(3)InChIKey: FJYDBKPPGRZSOZ-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C8H7BrO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3
(5)Std. InChIKey: FJYDBKPPGRZSOZ-UHFFFAOYSA-N