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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 Segment

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

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