2,5-Dibromobenzaldehyde

The 2,5-Dibromobenzaldehyde, with the CAS registry number 74553-29-0, is also known as 2,5-Dibromo-benzaldehyde. It belongs to the product categories of Aromatic Aldehydes & Derivatives (substituted); Aldehydes; C7; Carbonyl Compounds. This chemical's molecular formula is C₇H₄Br₂O and molecular weight is 263.91. What's more, its systematic name is the same with its product name.

Physical properties about 2,5-Dibromobenzaldehyde are: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 207; (6)ACD/BCF (pH 7.4): 207; (7)ACD/KOC (pH 5.5): 1583; (8)ACD/KOC (pH 7.4): 1583; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 48.386 cm³; (15)Molar Volume: 133.469 cm³; (16)Surface Tension: 49.11 dyne/cm; (17)Density: 1.977 g/cm³; (18)Flash Point: 111.244 °C; (19)Enthalpy of Vaporization: 52.223 kJ/mol; (20)Boiling Point: 283.319 °C at 760 mmHg; (21)Vapour Pressure: 0.003 mmHg at 25 °C.

Preparation of 2,5-Dibromobenzaldehyde: this chemical can be prepared by 2,5-Dibromobenzylidene diacetate. This reaction needs reagents H₂SO₄, H₂O and solvent ethanol at temperature of 75 °C. The reaction time is 80 min. The yield is 87 %.

Uses of 2,5-Dibromobenzaldehyde: (1) it is used as intermediate; (2) it is used to produce other chemicals. For example, it can react with Ethane-1,2-diol to get 2-(2,5-Dibromo-phenyl)-[1,3]dioxolane. The reaction occurs with reagent p-toluenesulfonic acid, solvent toluene and other condition of heating. The yield is 93 %.

When you are dealing with this chemical, you should be very careful. This chemicals may destroy living tissue on contact and may present an immediate or delayed danger to one or more components of the environment. In addition, it is harmful if swallowed and can cause burns. It is very toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. This material and its container must be disposed of as hazardous waste. What's more, you should avoid releasing to the environment. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(c(cc1Br)C=O)Br
(2) InChI: InChI=1S/C7H4Br2O/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
(3) InChIKey: BQBXKWGMPUCSQV-UHFFFAOYSA-N