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686301

Sigma-Aldrich

(S)-4-Bromo-α-methylbenzyl alcohol

95%

Synonym(s):

(S)-1-(4-Bromophenyl)ethanol, (S)-4′-Bromo-1-phenylethanol

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About This Item

Linear Formula:
BrC6H4CH(CH3)OH
CAS Number:
100760-04-1
Molecular Weight:
201.06
MDL number:
MFCD06201860
UNSPSC Code:
12352101
PubChem Substance ID:
329761036
NACRES:
NA.22

Quality Level

100

assay

95%

form

liquid

optical activity

[α]20/D -38.0°, c = 1 in chloroform

refractive index

n20/D 1.570

density

1.322 g/mL at 25 °C

SMILES string

C[C@H](O)c1ccc(Br)cc1

InChI

1S/C8H9BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/m0/s1

InChI key

XTDTYSBVMBQIBT-LURJTMIESA-N

Related Categories

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

wgk_germany

WGK 3

flash_point_f

>230.0 °F

flash_point_c

> 110 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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Xiao-Hong Chen et al.
PloS one, 9(4), e94543-e94543 (2014-04-18)
A novel carbonyl reductase (AcCR) catalyzing the asymmetric reduction of ketones to enantiopure alcohols with anti-Prelog stereoselectivity was found in Acetobacter sp. CCTCC M209061 and enriched 27.5-fold with an overall yield of 0.4% by purification. The enzyme showed a homotetrameric

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