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| CAS No.: | 38256-56-3 |
|---|---|
| Name: | 1-(2-Bromoethyl)-2-(bromomethyl)benzene |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C9H10Br2 |
| Molecular Weight: | 277.986 |
| Synonyms: | Benzene, 1-(2-bromoethyl)-2-(bromomethyl)-;Toluene, α-bromo-o-(2-bromoethyl)- (6CI);2-Bromo-1-(o-bromomethylphenyl)ethane;α-Bromo-o-(2-bromoethyl)toluene; |
| Density: | 1.685 g/cm3 |
| Boiling Point: | 283.3 °C at 760 mmHg |
| Flash Point: | 142 °C |
| PSA: | 0.00000 |
| LogP: | 3.51890 |
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Specification
This product is an organic compound with the formula C9H10Br2. The systematic name of this chemical is 1-(2-Bromoethyl)-2-(bromomethyl)benzene. With the CAS registry number 38256-56-3, it is also named as Benzene, 1-(2-bromoethyl)-2-(bromomethyl)-. In addition, the molecular weight is 277.98.
Physical properties of 1-(2-Bromoethyl)-2-(bromomethyl)benzene are: (1)ACD/LogP: 3.79; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.596; (7)Molar Refractivity: 56.18 cm3; (8)Molar Volume: 164.9 cm3; (9)Polarizability: 22.27×10-24cm3; (10)Surface Tension: 44 dyne/cm; (11)Density: 1.685 g/cm3; (12)Flash Point: 142 °C; (13)Enthalpy of Vaporization: 50.12 kJ/mol; (14)Boiling Point: 283.3 °C at 760 mmHg; (15)Vapour Pressure: 0.00546 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-hydroxymethyl-phenethyl alcohol at the ambient temperature. This reaction will need reagents carbon tetrabromide, triphenylphosphine and solvent CH2Cl2 with the reaction time of 18 hours. The yield is about 70%.
-2-(bromomethyl)benzene.jpg)
Uses of 1-(2-Bromoethyl)-2-(bromomethyl)benzene: it can be used to produce Isoselenochroman by heating. It will need reagents NaBH4, Se and solvent ethanol with the reaction time of 2 hours. The yield is about 70%.
-2-(bromomethyl)benzene.jpg)
You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1ccccc1CCBr
(2)InChI: InChI=1S/C9H10Br2/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5-7H2
(3)InChIKey: FWYHRXVCIWHPMO-UHFFFAOYSA-N