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| CAS No.: | 4654-39-1 |
|---|---|
| Name: | 4-Bromophenethyl alcohol |
| Article Data: | 63 |
| Molecular Structure: | |
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| Formula: | C8H9BrO |
| Molecular Weight: | 201.063 |
| Synonyms: | Phenethylalcohol, p-bromo- (6CI,7CI,8CI);2-(4-Bromophenyl)ethanol;2-(p-Bromophenyl)ethanol;4-Bromobenzeneethanol;p-Bromophenethyl alcohol; |
| EINECS: | 225-093-7 |
| Density: | 1.436 g/cm3 |
| Melting Point: | 36-38 °C(lit.) |
| Boiling Point: | 274.6 °C at 760 mmHg |
| Flash Point: | 110 °C |
| Appearance: | clear colourless to light yellow liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| Safety: | 26-24/25 |
| PSA: | 20.23000 |
| LogP: | 1.98390 |
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Specification
The 1-(4-Bromophenyl)ethanol, also known as p-Bromo-phenethyl alcohol, is an organic compound with the formula C8H9BrO. It belongs to the product categories of Alcohols and Derivatives; Benzhydrols, Benzyl & Special Alcohols; Phenyls & Phenyl-Het; API intermediates; Phenyls & Phenyl-Het; Alcohols; C7 to C8; Oxygen Compounds. Its EINECS registry number is 225-093-7. With the CAS registry number 4654-39-1, its IUPAC name is 2-(4-bromophenyl)ethanol. It is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. It is a clear colourless to light yellow liquid.
Physical properties of 1-(4-Bromophenyl)ethanol: (1)ACD/LogP: 2.13; (2)ACD/LogD (pH 5.5): 2.13; (3)ACD/LogD (pH 7.4): 2.13; (4)ACD/BCF (pH 5.5): 24.51; (5)ACD/BCF (pH 7.4): 24.51; (6)ACD/KOC (pH 5.5): 343.65; (7)ACD/KOC (pH 7.4): 343.65; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 45.02 cm3; (13)Molar Volume: 135.9 cm3; (14)Surface Tension: 44.4 dyne/cm; (15)Density: 1.479 g/cm3; (16)Flash Point: 119.9 °C; (17)Enthalpy of Vaporization: 54.19 kJ/mol; (18)Boiling Point: 274.6 °C at 760 mmHg; (19)Vapour Pressure: 0.00259 mmHg at 25°C.
Uses of 1-(4-Bromophenyl)ethanol: it can be used to produce 4-bromo-phenethyl chloride. This reaction will need reagent PCl5.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. You must avoid contact with skin and eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1CCO)Br
(2)InChI: InChI=1S/C8H9BrO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2
(3)InChIKey: PMOSJSPFNDUAFY-UHFFFAOYSA-N