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Key Documents

270768

Sigma-Aldrich

4-tert-Butylbenzyl bromide

97%

Synonym(s):

α-Bromo-4-(tert-butyl)toluene, 1-Bromomethyl-4-tert-butylbenzene

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About This Item

Linear Formula:
(CH3)3CC6H4CH2Br
CAS Number:
Molecular Weight:
227.14
Beilstein/REAXYS Number:
471674
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

97%

form

liquid

refractive index

n20/D 1.545 (lit.)

bp

93-94 °C/1.5 mmHg (lit.)

mp

8-12 °C (lit.)

density

1.236 g/mL at 25 °C (lit.)

functional group

bromo

SMILES string

CC(C)(C)c1ccc(CBr)cc1

InChI

1S/C11H15Br/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3

InChI key

QZNQSIHCDAGZIA-UHFFFAOYSA-N

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General description

The nucleophilic substitution reaction of 4-tert-butylbenzyl bromide and potassium iodide was carried out in oil-in-water microemulsions based on various surfactants.

Application

4-tert-Butylbenzyl bromide, a hydrophobic reactant, was used to keep the loaded mesoporous material particles under continuous stirring.

pictograms

Corrosion

signalword

Danger

hcodes

Hazard Classifications

Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk_germany

WGK 3

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

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


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