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CAS No.: | 5411-56-3 |
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Name: | 1-(2'-BROMOPHENYL)-1-HYDROXYETHANE |
Article Data: | 308 |
Molecular Structure: | |
Formula: | C8H9BrO |
Molecular Weight: | 201.063 |
Synonyms: | Benzylalcohol, o-bromo-a-methyl-(6CI,8CI);(?à)-1-(o-Bromophenyl)ethanol;1-(2-Bromophenyl)ethanol;2-Bromo-a-methylbenzenemethanol;2-Bromo-a-methylbenzyl alcohol;NSC 10988; |
EINECS: | 226-491-3 |
Density: | 1.47 g/cm3 |
Melting Point: | 54-56 °C |
Boiling Point: | 243.5 °C at 760 mmHg |
Flash Point: | 113.3 °C |
Appearance: | Clear yellow liquid |
Hazard Symbols: | Xi |
PSA: | 20.23000 |
LogP: | 2.50240 |
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The Benzenemethanol,2-bromo-a-methyl-, with the CAS registry number 5411-56-3, is also known as NSC10988. It belongs to the product categories of Bromine Compounds; Phenols. Its EINECS registry number is 226-491-3. This chemical's molecular formula is C8H9BrO and molecular weight is 201.06. Its IUPAC name is called 1-(2-bromophenyl)ethanol. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes. This chemical is clear yellow liquid.
Physical properties of Benzenemethanol,2-bromo-a-methyl-: (1)ACD/LogP: 2.15; (2)ACD/LogD (pH 5.5): 2.15; (3)ACD/LogD (pH 7.4): 2.15; (4)ACD/BCF (pH 5.5): 25.52; (5)ACD/BCF (pH 7.4): 25.52; (6)ACD/KOC (pH 5.5): 353.68; (7)ACD/KOC (pH 7.4): 353.68; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.572; (12)Molar Refractivity: 45.03 cm3; (13)Molar Volume: 136.6 cm3; (14)Surface Tension: 42.8 dyne/cm; (15)Density: 1.47 g/cm3; (16)Flash Point: 113.3 °C; (17)Enthalpy of Vaporization: 50.77 kJ/mol; (18)Boiling Point: 243.5 °C at 760 mmHg; (19)Vapour Pressure: 0.0172 mmHg at 25°C..
Preparation: this chemical can be prepared by 1-(2-bromo-phenyl)-ethanone. This reaction will need reagent sodium borohydride, acetic acid. The reaction time is 10 min with reaction temperature of 16 - 21 °C. The yield is about 18%.
Uses of Benzenemethanol,2-bromo-a-methyl-: it can be used to produce 1-(2-bromo-phenyl)-ethanone. This reaction will need reagent PCC.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C1=CC=CC=C1Br)O
(2)InChI: InChI=1S/C8H9BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3
(3)InChIKey: DZLZSFZSPIUINR-UHFFFAOYSA-N