5-Bromosalicylaldehyde (1761-61-1)

The IUPAC name of this chemical is 5-bromo-2-hydroxybenzaldehyde. With the CAS registry number 1761-61-1, it is also named as 5-Bromosalicylaldehyde. The product's categories are Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Adehydes, Acetals & Ketones; Bromine Compounds; Phenols. It is slightly yellow to yellow-beige powder which is insoluble in water. Additionally, this chemical should be sealed in the container and stored in the cool and dry place. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 67.82; (6)ACD/BCF (pH 7.4): 41.99; (7)ACD/KOC (pH 5.5): 710.47; (8)ACD/KOC (pH 7.4): 439.9; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.657; (13)Molar Refractivity: 42.57 cm³; (14)Molar Volume: 115.7 cm³; (15)Polarizability: 16.87×10^-24 cm³; (16)Surface Tension: 56.9 dyne/cm; (17)Enthalpy of Vaporization: 50.41 kJ/mol; (18)Vapour Pressure: 0.0164 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 4; (21)Exact Mass: 199.947292; (22)MonoIsotopic Mass: 199.947292; (23)Topological Polar Surface Area: 37.3; (24)Heavy Atom Count: 10; (25)Complexity: 127.

Preparation of 5-Bromo-2-hydroxybenzaldehyde: It can be obtained by 2-hydroxy-benzaldehyde. This reaction needs reagent Br₂ and solvent CS₂ at temperature of 50 °C. The yield is 79.3 %. 

Uses of 5-Bromo-2-hydroxybenzaldehyde: It is used as intermediate of medicine, spice and dye. And it also can react with propan-2-one to get 4-(5-bromo-2-hydroxy-phenyl)-but-3-en-2-one. This reaction needs reagent NaOH-solution.

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

People can use the following data to convert to the molecule structure. 
1. SMILES:Brc1cc(C=O)c(O)cc1
2. InChI:InChI=1/C7H5BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H