1,3-Dibromoadamantane

The IUPAC name of 1,3-Dibromoadamantane is 1,3-dibromoadamantane. With the CAS registry number 876-53-9, it is also named as Adamantane, 1,3-dibromo-. The product's categories are Adamantane Derivatives; Miscellaneous Reagents; Adamantanes; Alkyl; Halogenated Hydrocarbons; Organic Building Blocks. Besides, it is white solid. In addition, its molecular formula is C₁₀H₁₄Br₂ and molecular weight is 294.03.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.98; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Index of Refraction: 1.651; (7)Molar Refractivity: 57.59 cm³; (8)Molar Volume: 157.6 cm³; (9)Polarizability: 22.83×10^-24cm³; (10)Surface Tension: 58.5 dyne/cm; (11)Density: 1.864 g/cm³; (12)Flash Point: 145.4 °C; (13)Melting Point: 108-110 °C; (14)Enthalpy of Vaporization: 50.57 kJ/mol; (15)Boiling Point: 287.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00425 mmHg at 25 °C.

Preparation and Uses of 1,3-Dibromoadamantane: this chemical can be prepared by the reaction of Adamantane with Bromine. This reaction needs iron powder, Methanol and aq. NaHSO₄ by refluxing at temperature of 90 °C for 2 hours. The yield is 73.2%. Moreover, it is an intermediate of sensitive material. It is also used in medicine synthesis.

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, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1C2CC3(CC1CC(C2)(C3)Br)Br
(2)InChI: InChI=1S/C10H14Br2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8H,1-6H2
(3)InChIKey: HLWZKLMEOVIWRK-UHFFFAOYSA-N