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100760-04-1

100760-04-1 Structure

100760-04-1 Structure
IdentificationBack Directory
[Name]

(S)-4-Bromo-alpha-methylbenzyl alcohol
[CAS]

100760-04-1
[Synonyms]

(S)-1-(4-BroMohenyl)ethanol
(S)-4'-Bromo-1-phenylethanol
(S)-1-(4-BROMOPHENYL)ETHANOL
(1S)-1-(4-Bromophenyl)ethan-1-ol
(S)-1-(4-Bromophenyl)ethanol ,97%
(S)-4-Bromo-α-methylbenzyl alcohol
(S)-(-)-1-(4-bromophenyl)-1-ethanol
(S)-4-BROMO-ALPHA-METHYLBENZYL ALCOHOL
GS)-4-BROMO-ALPHA-METHYLBENZYL ALCOHOL
(S)-4-BroMo-α-Methylbenzyl alcohol
(S)-4-Bromo-alpha-methylbenzyl alcohol 95%
(S)-4-Bromo-alpha-methylbenzyl alcohol, 98% ee
(S)-4-Bromo-(S)-4-Bromo-alpha-methylbenzylalcohol
(S)-4-Bromo-alpha-methylbenzyl alcohol, 95%, ee:98%
(S)-4-Bromo-alpha-methylbenzyl alcohol, 95% (98% e.e.)
(S)-1-(4-Bromophenyl)ethanol, (S)-4μ-Bromo-1-phenylethanol
[Molecular Formula]

C8H9BrO
[MDL Number]

MFCD06201860
[MOL File]

100760-04-1.mol
[Molecular Weight]

201.06
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[Boiling point ]

116 °C(Press: 5.2 Torr)
[density ]

1.322 g/mL at 25 °C
[refractive index ]

n20/D 1.570
[Fp ]

110 °C
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

liquid
[pka]

14.22±0.20(Predicted)
[Optical Rotation]

[α]20/D -38.0°, c = 1 in chloroform
[InChI]

InChI=1/C8H9BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/s3
[InChIKey]

XTDTYSBVMBQIBT-LURJTMIESA-N
[SMILES]

C1([C@H](C)O)=CC=C(C=C1)Br |&1:1,r|
[CAS DataBase Reference]

100760-04-1
Hazard InformationBack Directory
[Chemical Properties]

clear colorless liquid
[Uses]

(S)-1-(4-Bromophenyl)ethanol is a building block used in organic synthesis of photochemically active and photophysical pthalocyanines.
[Synthesis]

Preparation of (S)-4-bromo-alpha-methylbenzyl alcohol from tetrafluorobenzene by methylation, carboxylation and reduction.

2,3,5,6-tetrafluorobenzene was reacted with n-LiBu, with TIHF as solvent, under argon protection, and then reacted with

[Purification Methods]

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
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

36/37/38-20/21/22
[Safety Statements ]

36/37/39-26
[WGK Germany ]

3
[HS Code ]

29062990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2,3-Dichloro-5,8-dihydroxy-1,4-naphthoquinone
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-4-Bromo-alpha-methylbenzyl alcohol(100760-04-1)1HNMR
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