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Merck
CN

685852

(S)-4-Fluoro-α-methylbenzyl alcohol

97%

Synonym(s):

(S)-1-(4′-Fluorophenyl)ethanol

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About This Item

Linear Formula:
FC6H4CH(CH3)OH
CAS Number:
101219-73-2
Molecular Weight:
140.15
NACRES:
NA.22
PubChem Substance ID:
329761004
UNSPSC Code:
12352101
MDL number:
MFCD03092998

Key Documents

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Product Name

(S)-4-Fluoro-α-methylbenzyl alcohol, 97%

InChI

1S/C8H9FO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/m0/s1

SMILES string

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

InChI key

PSDSORRYQPTKSV-LURJTMIESA-N

assay

97%

form

liquid

optical activity

[α]20/D -49.0°, c = 1 in chloroform

refractive index

n20/D 1.502

density

1.111 g/mL at 25 °C

functional group

fluoro
hydroxyl

Application

(S)-4-Fluoro-α-methylbenzyl alcohol can be used as a starting material to synthesize a CCR5 antagonist named MLN1251.Along with its ortho- and non-fluorine substituted analogs, it can be used to study the role of fluorine substitution in chiral discrimination in molecular complexes.

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

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBR2176V
MKBN2365V
01302MH

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Expedient synthesis of MLN1251, a CCR5 antagonist for treatment of HIV
Ronn M, et al.
Organic Process Research & Development, 11(2), 241-245 (2007)
The effect of fluorine substitution on chiral recognition: interplay of CH? pi, OH? pi and CH? F interactions in gas-phase complexes of 1-aryl-1-ethanol with butan-2-ol
Ciavardini A, et al.
Physical Chemistry Chemical Physics, 15(44), 19360-19370 (2013)

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