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1,3-Dibromoadamantane

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Name

1,3-Dibromoadamantane

EINECS 1533716-785-6
CAS No. 876-53-9 Density 1.864 g/cm3
PSA 0.00000 LogP 3.86760
Solubility Soluble in organic solvents,insoluble in water. Melting Point 108-110 °C
Formula C10H14Br2 Boiling Point 287.6 °C at 760 mmHg
Molecular Weight 294.029 Flash Point 145.4 °C
Transport Information N/A Appearance white solid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 876-53-9 (1,3-Dibromoadamantane) Hazard Symbols IrritantXi
Synonyms

Adamantane,1,3-dibromo- (6CI,7CI,8CI);NSC 102289;

Article Data 42

1,3-Dibromoadamantane Specification

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

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