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Sigma-Aldrich

4-Bromo-α-methylbenzyl alcohol

97%

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About This Item

Linear Formula:
BrC6H4CH(CH3)OH
CAS Number:
5391-88-8
Molecular Weight:
201.06
EC Number:
226-389-9
MDL number:
MFCD00004514
UNSPSC Code:
12352100
PubChem Substance ID:
24848743
NACRES:
NA.22

Quality Level

100

assay

97%

form

solid

bp

119-121 °C/7 mmHg (lit.)

mp

36-38 °C (lit.)

density

1.46 g/mL at 25 °C (lit.)

SMILES string

CC(O)c1ccc(Br)cc1

InChI

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

InChI key

XTDTYSBVMBQIBT-UHFFFAOYSA-N

Application

4-Bromo-α-methylbenzyl alcohol was used in the synthesis of 3-(4-(1-(tert-butyl)dimethylsilyloxy)ethyl)phenyl)-3-(trifluoromethyl)-3H-diazirine and (1-(4-bromophenyl)ethoxy)(tert-butyl)dimethylsilane.

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

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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S Shaukat Husain et al.
Journal of medicinal chemistry, 53(17), 6432-6444 (2010-08-14)
We synthesized the R- and S-enantiomers of ethyl 1-(1-(4-(3-((trifluoromethyl)-3H-diazirin-3-yl)phenyl)ethyl)-1H-imidazole-5-carboxylate (trifluoromethyldiazirinyl-etomidate), or TFD-etomidate, a novel photoactivable derivative of the stereoselective general anesthetic etomidate (R-(2-ethyl 1-(phenylethyl)-1H-imidazole-5-carboxylate)). Anesthetic potency was similar to etomidate's, but stereoselectivity was reversed and attenuated. Relative to etomidate, TFD-etomidate

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