5-Bromoacenaphthene

The 5-Bromoacenaphthene, with CAS registry number 2051-98-1, belongs to the following product category: Aromatic Compounds. It has the systematic name of 5-bromoacenaphthene. This chemical is a kind of yellow powder. And the chemical formula of this chemical is C₁₂H₉Br. What's more, its EINECS is 218-138-7.

Physical properties of 5-Bromoacenaphthene: (1)ACD/LogP: 4.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.96; (4)ACD/LogD (pH 7.4): 4.96; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Index of Refraction: 1.714; (9)Molar Refractivity: 59.34 cm³; (10)Molar Volume: 151 cm³; (11)Polarizability: 23.52×10^-24cm³; (12)Surface Tension: 53 dyne/cm; (13)Enthalpy of Vaporization: 55.51 kJ/mol; (14)Vapour Pressure: 0.00024 mmHg at 25°C.

Preparation: this chemical can be prepared by acenaphthene. This reaction will need reagent NBS and solvent dimethylformamide. The reaction temperature is 20 ℃. The yield is about 79%.

Uses of 5-Bromoacenaphthene: it can be used to produce 5-bromo-acenaphthene-1,2-dione. This reaction will need reagent Na₂Cr₂O₇^.2H₂O and solvent acetic acid. The yield is about 50%.

When you are using this chemical, please be cautious about it as the following:
The 5-Bromoacenaphthene irritates to eyes, respiratory system and skin. When use this chemical, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc3CCc2cccc1c23
(2)InChI: InChI=1/C12H9Br/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2
(3)InChIKey: QALKJGMGKYKMKE-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C12H9Br/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2
(5)Std. InChIKey: QALKJGMGKYKMKE-UHFFFAOYSA-N