Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
7-Bromo-3-hydroxynaphthalene-2-carboxylic acid |
EINECS | N/A |
CAS No. | 1779-11-9 | Density | 1.772 g/cm3 |
PSA | 57.53000 | LogP | 3.00610 |
Solubility | N/A | Melting Point |
262 °C |
Formula | C11H7BrO3 | Boiling Point | 420.3 °C at 760 mmHg |
Molecular Weight | 267.079 | Flash Point | 208 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-24/25 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Naphthoicacid, 7-bromo-3-hydroxy- (6CI,7CI,8CI);7-Bromo-3-hydroxy-2-naphthoic acid; |
Article Data | 18 |
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