(S)-4-Bromo-alpha-methylbenzyl alcohol
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(S)-4-Bromo-alpha-methylbenzyl alcohol
structure -
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CAS No:
100760-04-1
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Formula:
C8H9BrO
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Chemical Name:
(S)-4-Bromo-alpha-methylbenzyl alcohol
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Synonyms:
GS)-4-BROMO-ALPHA-METHYLBENZYL ALCOHOL;(S)-4-Bromo-alpha-methylbenzyl alcohol, 95% (98% e.e.);(S)-1-(4-Bromophenyl)ethanol, (S)-4μ-Bromo-1-phenylethanol;(S)-4-Bromo-α-methylbenzyl alcohol;(S)-4-Bromo-alpha-methylbenzyl alcohol, 95%, ee:98%;(S)-1-(4-BROMOPHENYL)ETHANOL;(S)-4-BROMO-ALPHA-METHYLBENZYL ALCOHOL;(S)-4-Bromo-alpha-methylbenzyl alcohol, 98% ee
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CAS No:
Description
clear colorless liquid
The (±)-racemate is purified by distillation in a vacuum (b 90o/1mm, 119-121o/7mm, d 1.46) and it solidifies on cooling (m 36-37o) [Overberger et al. Org Synth
Characteristics
20.2
2.1
clear colorless liquid
1.322 g/mL at 25 °C
116 °C(Press: 5.2 Torr)
63.3±0.0 °C
n20/D 1.570
0.00956mmHg at 25°C
14.22±0.20(Predicted)
Sealed in dry,Room Temperature
Safety Information
NONH for all modes of transport
3
Xn
36/37/39-26
Xn:Harmful;
P261-P280-P305 + P351 + P338
36/37/38-20/21/22
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(S)-4-Bromo-alpha-methylbenzyl alcohol Use and Manufacturing
(S)-1-(4-Bromophenyl)ethanol is a building block used in organic synthesis of photochemically active and photophysical pthalocyanines.
Computed Properties
Molecular Weight:201.06
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:199.98368
Monoisotopic Mass:199.98368
Topological Polar Surface Area:20.2
Heavy Atom Count:10
Complexity:97.4
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(S)-4-Bromo-alpha-methylbenzyl alcohol
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