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Merck
CN

270768

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:
18880-00-7
Molecular Weight:
227.14
Beilstein:
471674
EC Number:
242-643-1
MDL number:
MFCD00000180
UNSPSC Code:
12352100
PubChem Substance ID:
24856397
NACRES:
NA.22

Key Documents

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Quality Level

200

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
GHS05

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCV5778
MKCN8475
MKCM4705
MKCL2992
MKCJ0582

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Tomasz Witula et al.
Journal of colloid and interface science, 310(2), 536-545 (2007-03-03)
Mesoporous materials have been investigated as auxiliary agents for organic synthesis comprising reactants with widely different solubility characteristics. The finely divided oxide material was immersed in an aqueous solution of a water-soluble reactant, potassium iodide, and the loaded particles were
Maria Häger et al.
Langmuir : the ACS journal of surfaces and colloids, 20(15), 6107-6115 (2004-07-14)
A nucleophilic substitution reaction between 4-tert-butylbenzyl bromide and potassium iodide has been performed in oil-in-water microemulsions based on various C12Em surfactants, i.e., dodecyl ethoxylate with m number of oxyethylene units. The reaction kinetics was compared with the kinetics of reactions

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