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253928

1-Bromo-4-tert-butylbenzene

Name: 1-Bromo-4-<I>tert</I>-butylbenzene
Brand: ALDRICH

97%

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About This Item

Linear Formula:

(CH₃)₃CC₆H₄Br

CAS Number:

3972-65-4

Molecular Weight:

213.11

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24855340

EC Number:

223-599-2

Beilstein/REAXYS Number:

1859117

MDL number:

MFCD00000108

Assay:

97%

Form:

liquid

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Properties

Quality Level

200

assay

97%

form

liquid

refractive index

n20/D 1.533 (lit.)

bp

80-81 °C/2 mmHg (lit.)

mp

13-16 °C (lit.)

density

1.229 g/mL at 25 °C (lit.)

functional group

bromo

SMILES string

CC(C)(C)c1ccc(Br)cc1

InChI

1S/C10H13Br/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3

InChI key

XHCAGOVGSDHHNP-UHFFFAOYSA-N

Description

General description

1-Bromo-4-tert-butylbenzene undergoes lithium-bromide exchange reactions with n-butyllithium and tert-butyllithium at 0°C in various solvents.

Application

1-Bromo-4-tert-butylbenzene was used in the synthesis of 4-tert-butyl-phenylboronic acid, 1-deoxy analogs of CP-47,497 (n = 0 to 7) and 1-deoxy analogs of CP-55,940 (n = 0 to 7).

pictograms

GHS07

signalword

Warning

hcodes

H315,H319

pcodes

P302 + P352 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

206.6 °F

flash_point_c

97 °C

ppe

Eyeshields, Gloves

Regulatory Information

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Novel non-symmetric nickel-diimine complexes for the homopolymerization of ethene: Control of branching by catalyst design.

Schmid M, et al.

Zeitschrift fur Naturforschung, B: Chemical Sciences, 57(10), 1141-1146 (2002)

Strategy used to synthesize high activity and low Pd catalyst for Suzuki coupling reaction: an experimental and theoretical investigation.

Xiao Yan et al.

Physical chemistry chemical physics : PCCP, 22(11), 6222-6230 (2020-03-05)

Unveiling the reaction mechanism is significant for developing high-performance catalysts. In this paper, a series of precisely controlled PdxM147-x (M = Cu, Pt, Au, Rh, Ru) dendrimer encapsulated nanoparticles (DENs) has been successfully synthesized. The mechanisms of PdxM147-x as catalysts

Effect of solvent on the lithium-bromine exchange of aryl bromides: reactions of n-butyllithium and tert-butyllithium with 1-bromo-4-tert-butylbenzene at 0 degrees C.

William F Bailey et al.

The Journal of organic chemistry, 71(7), 2825-2828 (2006-03-25)

The outcome of reactions of 1-bromo-4-tert-butylbenzene (1), a representative aryl bromide, with n-BuLi or t-BuLi at 0 degrees C in a variety of solvent systems has been investigated. The products of reactions of 1 with n-BuLi vary significantly with changes

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Global Trade Item Number

SKU	GTIN
253928-25G	04061825982502
253928-100G	04061837595356