2-BROMOBENZALDEHYDE OXIME

The Benzaldehyde, 2-bromo-,oxime, with the CAS registry number of 34158-72-0, is also known as 2-Bromobenzaldoxime and (E)-2-Bromobenzaldehyde oxime. It belongs to the product categories of Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes; Bromine Compounds; Miscellaneous Compounds. This chemical's molecular formula is C₇H₆BrNO and molecular weight is 200.03. What's more, its IUPAC name is 2-Bromobenzaldehyde oxime. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should avoid contact with oxidant. Besides, ensure the work place is well-ventilated.

Physical properties about Benzaldehyde, 2-bromo-,oxime are: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 75.91; (6)ACD/BCF (pH 7.4): 75.87; (7)ACD/KOC (pH 5.5): 771.81; (8)ACD/KOC (pH 7.4): 771.48; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.59 Å²; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 43.71 cm³; (15)Molar Volume: 131 cm³; (16)Surface Tension: 44.6 dyne/cm; (17)Density: 1.52 g/cm³; (18)Flash Point: 114.4 °C; (19)Enthalpy of Vaporization: 53.19 kJ/mol; (20)Boiling Point: 265.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00454 mmHg at 25 °C.

Preparation: this chemical is prepared by 2-Bromo-benzaldehyde. This reaction needs reagents NH₂OH•HCl and Silica gel. The reaction time is 3 minutes. The yield is about 95 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-Bromo-N-hydroxy-benzimidoyl chloride. The reaction needs reagent Cl₂ and solvent CHCl₃. Other condition of this reaction is reaction time of 2.5 hours at -15 °C. The yield is about 30 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccccc1\C=N\O
(2) InChI: InChI=1/C7H6BrNO/c8-7-4-2-1-3-6(7)5-9-10/h1-5,10H/b9-5+
(3) InChIKey: PSIRFUPZHPEKAE-WEVVVXLNBJ