2-Naphthalenecarboxylicacid, 7-bromo-3-hydroxy- (1779-11-9)

The 7-Bromo-3-hydroxynaphthalene-2-carboxylic acid, with the CAS registry number 1779-11-9, is also called 7-bromo-3-hydroxy-2-naphthoic acid. It is a kind of irritant chemical, so you had better be cautious while dealing with it. And the molecular formula of the chemical is C₁₁H₇BrO₃.

The characteristics of 7-Bromo-3-hydroxynaphthalene-2-carboxylic acid are as followings: (1)ACD/LogP: 4.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.1; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.23; (8)ACD/KOC (pH 7.4): 2.76; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.737; (14)Molar Refractivity: 60.59 cm³; (15)Molar Volume: 150.6 cm³; (16)Polarizability: 24.02×10^-24cm³; (17)Surface Tension: 71.8 dyne/cm; (18)Density: 1.772 g/cm³; (19)Flash Point: 208 °C; (20)Enthalpy of Vaporization: 71.07 kJ/mol; (21)Boiling Point: 420.3 °C at 760 mmHg; (22)Vapour Pressure: 8.17E-08 mmHg at 25°C.

Uses of 7-Bromo-3-hydroxynaphthalene-2-carboxylic acid: It can react with methanol to produce Methyl-6-brom-2-hydroxy-naphthalin-3-carboxylat. This reaction will need reagent aq. H₂SO₄, and the yield is about 50%.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1cc2c(cc1O)ccc(Br)c2
(2)InChI: InChI=1/C11H7BrO3/c12-8-2-1-6-5-10(13)9(11(14)15)4-7(6)3-8/h1-5,13H,(H,14,15)
(3)InChIKey: XZWXQSGFZHRDNB-UHFFFAOYAD