3-HYDROXY-2,4,6-TRIBROMOBENZALDEHYDE

The Benzaldehyde,2,4,6-tribromo-3-hydroxy-, with the CAS registry number 2737-22-6, has the systematic name and IUPAC name of 2,4,6-tribromo-3-hydroxybenzaldehyde. It is a kind of air sensitive chemical, and belongs to the product categories of Aromatic Aldehydes & Derivatives (substituted). And the molecular formula of the chemical is C₇H₃Br₃O₂.

The characteristics of Benzaldehyde,2,4,6-tribromo-3-hydroxy- are as followings: (1)ACD/LogP: 4.33; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.711; (8)Molar Refractivity: 57.95 cm³; (9)Molar Volume: 148 cm³; (10)Polarizability: 22.97×10^-24cm³; (11)Surface Tension: 63.9 dyne/cm; (12)Density: 2.423 g/cm³; (13)Flash Point: 138.8 °C; (14)Enthalpy of Vaporization: 56.82 kJ/mol; (15)Boiling Point: 305.9 °C at 760 mmHg; (16)Vapour Pressure: 0.00044 mmHg at 25°C. 

Preparation of Benzaldehyde,2,4,6-tribromo-3-hydroxy-: This chemical can be prepared by 3-methoxy-benzaldehyde, and the others production are 2,4-dibromo-5-methoxy-benzaldehyde and 2,6-dibromo-3-methoxy-benzaldehyde. The reaction will need reagent sodium bromide and Oxone, and the menstruum H₂O and methanol. The reaction time is 24 hours with the temperature of 20°C, and the yield is about 14%. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and 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: Brc1c(c(Br)cc(Br)c1O)C=O
(2)InChI: InChI=1/C7H3Br3O2/c8-4-1-5(9)7(12)6(10)3(4)2-11/h1-2,12H
(3)InChIKey: FAWOIFAFFUDNJX-UHFFFAOYAX

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	56mg/kg (56mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01793,