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585-71-7

Basic Information
CAS No.: 585-71-7
Name: (1-Bromoethyl)benzene
Article Data: 176
Molecular Structure:
Molecular Structure of 585-71-7 ((1-Bromoethyl)benzene)
Formula: C8H9Br
Molecular Weight: 185.063
Synonyms: (1-Bromoethyl)benzene;(?à)-(1-Bromoethyl)benzene;(?à)-1-Bromo-1-phenylethane;(?à)-1-Phenylethyl bromide;(a-Bromoethyl)benzene;1-(1-Bromoethyl)benzene;1-Bromo-1-phenylethane;1-Phenethyl bromide;1-Phenyl-1-bromoethane;1-Phenylbromoethane;1-Phenylethyl bromide;NSC 8052;a-Methylbenzyl bromide;a-Phenethyl bromide;a-Phenylethyl bromide;
EINECS: 209-560-2
Density: 1.356
Melting Point: 1.358 g/cm3
Boiling Point: 203 °C at 760 mmHg
Flash Point: 80.2 °C
Appearance: clear yellow to brownish liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-24/25
PSA: 0.00000
LogP: 3.14250
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    Molecular Formula C8H9Br Molecular Weight 185.06 CAS Registry Number 585-71-7 EINECS 209-560-2 Name(1-Bromoethyl)benze…

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Specification

The Benzene,(1-bromoethyl)-, with CAS registry number 585-71-7, belongs to the following product category: Benzene derivates. It has the systematic name of 1-bromoethylbenzene. This chemical is a kind of clear yellow to brownish liquid. And it should be stored in the refrigerator. What's more, its EINECS is 209-560-2.

Physical properties of Benzene,(1-bromoethyl)-: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.27; (4)ACD/LogD (pH 7.4): 3.27; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Index of Refraction: 1.552; (9)Molar Refractivity: 43.53 cm3; (10)Molar Volume: 136.1 cm3; (11)Polarizability: 17.25×10-24cm3; (12)Surface Tension: 36.4 dyne/cm; (13)Density: 1.358 g/cm3; (14)Flash Point: 80.2 °C; (15)Enthalpy of Vaporization: 42.13 kJ/mol; (16)Boiling Point: 203 °C at 760 mmHg; (17)Vapour Pressure: 0.405 mmHg at 25°C.

Preparation: this chemical can be prepared by vinylbenzene. This reaction will need reagent hydrobromic acid.

Uses of Benzene,(1-bromoethyl)-: it can be used to produce 2,3-diphenyl-butane. This reaction will need reagents Mn2(CO)10, aq. sodium hydroξde, BTAC and solvent CH2Cl2. The yield is about 75%.

When you are using this chemical, please be cautious about it as the following:
The Benzene,(1-bromoethyl)- irritates to eyes, respiratory system and skin. When use this chemical, avoid contact with skin and eyes. 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: BrC(C)c1ccccc1
(2)InChI: InChI=1/C8H9Br/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3
(3)InChIKey: CRRUGYDDEMGVDY-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H9Br/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3
(5)Std. InChIKey: CRRUGYDDEMGVDY-UHFFFAOYSA-N