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CAS No.: | 73908-23-3 |
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Name: | (1S)-2-bromo-1-phenyl-ethanol |
Article Data: | 141 |
Molecular Structure: | |
Formula: | C8H9BrO |
Molecular Weight: | 201.063 |
Synonyms: | Benzenemethanol,α-(bromomethyl)-,(R)-;(R)-2-Bromo-1-phenylethanol;(aR)-α-(Bromomethyl)benzenemethanol; |
Density: | 1.504 g/cm3 |
Boiling Point: | 261.634 °C at 760 mmHg |
Flash Point: | 135.55 °C |
PSA: | 20.23000 |
LogP: | 2.11490 |
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The Benzenemethanol, α-(bromomethyl)-, (aR)-, with the CAS registry number 73908-23-3, is also known as (aR)-a-(Bromomethyl)benzenemethanol. This chemical's molecular formula is C8H9BrO and molecular weight is 201.060460. What's more, its IUPAC name is (1R)-2-Bromo-1-phenylethanol.
Physical properties about Benzenemethanol, α-(bromomethyl)-, (aR)- are: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 14; (6)ACD/BCF (pH 7.4): 14; (7)ACD/KOC (pH 5.5): 232; (8)ACD/KOC (pH 7.4): 232; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 45.072 cm3; (15)Molar Volume: 133.687 cm3; (16)Polarizability: 17.868×10-24 cm3; (17)Surface Tension: 47.738 dyne/cm; (18)Density: 1.504 g/cm3; (19)Flash Point: 135.55 °C; (20)Enthalpy of Vaporization: 52.759 kJ/mol; (21)Boiling Point: 261.634 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25 °C.
Preparation of Benzenemethanol, α-(bromomethyl)-, (aR)-: this chemical is prepared by 2-Bromo-1-phenyl-ethanone. The reaction needs solvent Pyridine. The reaction time is 10 hours and the yield is about 86 %.
Uses of Benzenemethanol, α-(bromomethyl)-, (aR)-: it is used to produce other chemicals. For example, it is used to produce (-)-(R)-2-Bromo-1-phenyl-1-acetoxyethane at ambient temperature. The reaction needs solvent Pyridine. The reaction time is 10 hours and the yield is about 86 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O[C@@H](CBr)c1ccccc1
(2) InChI: InChI=1/C8H9BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2/t8-/m0/s1
(3) InChIKey: DAHHEUQBMDBSLO-QMMMGPOBBT