1,6-DIBROMO-2-HYDROXYNAPHTHALENE-3-CARBOXYLIC ACID

The 2-Naphthalenecarboxylicacid, 4,7-dibromo-3-hydroxy-, with the CAS registry number 1779-10-8 and EINECS registry 217-214-7, has the systematic name of 4,7-dibromo-3-hydroxynaphthalene-2-carboxylic acid. It belongs to the following product categories: C11 to C12; Carbonyl Compounds; Carboxylic Acids. And the molecular formula of the chemical is C₁₁H₆Br₂O₃.

The characteristics of 2-Naphthalenecarboxylicacid, 4,7-dibromo-3-hydroxy- are as followings: (1)ACD/LogP: 5.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 3.76; (6)ACD/BCF (pH 7.4): 3.11; (7)ACD/KOC (pH 5.5): 12.05; (8)ACD/KOC (pH 7.4): 9.98; (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: 1.754; (14)Molar Refractivity: 68.28 cm³; (15)Molar Volume: 166.8 cm³; (16)Polarizability: 27.07×10^-24cm³; (17)Surface Tension: 73.8 dyne/cm; (18)Density: 2.073 g/cm³; (19)Flash Point: 212.4 °C; (20)Enthalpy of Vaporization: 71.96 kJ/mol; (21)Boiling Point: 427.6 °C at 760 mmHg; (22)Vapour Pressure: 4.49E-08 mmHg at 25°C.

Uses of 2-Naphthalenecarboxylicacid, 4,7-dibromo-3-hydroxy-: It can react with 2-amino-benzenethiol to 3-benzothiazol-2-yl-1,6-dibromo-naphthalen-2-ol. This reaction will need reagent phosphorus trichloride, and the menstruum toluene. The reaction time is 4 hours with heating, and the yield is about 88%.

You should be cautious while dealing with this chemical. It is harmful if swallowed. Therefore, if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1cc2c(c(Br)c1O)ccc(Br)c2
(2)InChI: InChI=1/C11H6Br2O3/c12-6-1-2-7-5(3-6)4-8(11(15)16)10(14)9(7)13/h1-4,14H,(H,15,16)
(3)InChIKey: WNMKUIQCIRAXBN-UHFFFAOYAA