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CAS No.: | 28229-69-8 |
---|---|
Name: | 3-BROMOPHENETHYL ALCOHOL |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C8H9BrO |
Molecular Weight: | 201.063 |
Synonyms: | Phenethyl alcohol, m-bromo-(6CI,8CI);3-(2-Hydroxyethyl)bromobenzene;3-Bromobenzeneethanol;3-Bromophenethyl alcohol; |
EINECS: | 691-780-7 |
Density: | 1.479 g/cm3 |
Boiling Point: | 274.614 °C at 760 mmHg |
Flash Point: | 119.883 °C |
Hazard Symbols: | Xi |
Safety: | 24/25 |
PSA: | 20.23000 |
LogP: | 1.98390 |
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The IUPAC name of this chemical is 2-(3-Bromophenyl)ethanol. With the CAS registry number 28229-69-8, it is also named as benzeneethanol, 3-bromo-. In addition, the molecular formula is C8H9BrO and the molecular weight is 201.06. It is a kind of clear colorless liquid and should be stored in a cool and dry place.
Physical properties about this chemical are: (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)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.576; (13)Molar Refractivity: 45.02 cm3; (14)Molar Volume: 135.9 cm3; (15)Polarizability: 17.85 ×10-24cm3; (16)Surface Tension: 44.4 dyne/cm; (17)Density: 1.479 g/cm3; (18)Flash Point: 119.9 °C; (19)Enthalpy of Vaporization: 54.19 kJ/mol; (20)Boiling Point: 274.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00259 mmHg at 25°C.
Uses of 2-(3-Bromophenyl)ethanol: it can react with formaldehyde to get 1-bromo-3-(2-chloromethoxy-ethyl)-benzene. This reaction will need reagent HCl and solvent benzene. The yield is about 66% at reaction temperature of -10--5 °C.
When you are using this chemical, please be cautious about it as the following:
During using it, you should avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(ccc1)CCO
(2)Std.InChI: InChI=1S/C8H9BrO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2
(3)Std.InChIKey: PTTFLKHCSZSFOL-UHFFFAOYSA-N