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B82006

2-Bromotoluene

Name: 2-Bromotoluene
Brand: ALDRICH

99%

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About This Item

Linear Formula:

CH₃C₆H₄Br

CAS Number:

95-46-5

Molecular Weight:

171.03

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24892059

EC Number:

202-421-7

Beilstein/REAXYS Number:

1904176

MDL number:

MFCD00000068

Assay:

99%

Form:

liquid

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Properties

Quality Segment

100

assay

99%

form

liquid

refractive index

n20/D 1.555 (lit.)

bp

58-60 °C/10 mmHg (lit.)

mp

−27 °C (lit.)

density

1.422 g/mL at 25 °C (lit.)

functional group

bromo

storage temp.

2-8°C

SMILES string

Cc1ccccc1Br

InChI

1S/C7H7Br/c1-6-4-2-3-5-7(6)8/h2-5H,1H3

InChI key

QSSXJPIWXQTSIX-UHFFFAOYSA-N

Description

General description

2-Bromotoluene is an an electron rich heteroaryl bromide. Heck reactions of 2-bromo toluene with cycloalkene (cyclododecene) and linear alkenes (dec-1-ene, allylbenzene) catalyzed by tedicyp (cis,cis,cis -1,2,3,4-tetrakis(diphenylphosphinomethyl)cyclopentane)-palladium complex has been studied. Vibrational spectral analysis of 2-bromobenzene by Raman and infrared spectroscopy at 50-4000cm^-1 has been investigated. Suzuki cross-coupling of 2-bromobenzene with benzeneboronic acid catalyzed by the Tedicyp-palladium complex has been studied. Suzuki coupling of 2-bromotoluene with phenylboronic acid using palladium nanoparticles supported on alumina-based oxides as catalyst has been reported.

Application

2-Bromotoluene was used in the synthesis of (±)-isocomene.

Pictograms

GHS07,GHS09

Signal Word

Warning

Hazard Codes

H302,H411

Precautionary Statements

P264 - P270 - P273 - P301 + P312 - P391 - P501

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 2

Storage Class

10 - Combustible liquids

WGK

WGK 3

Flash Point (°F)

174.2 °F

Flash Point (°C)

79 °C

PPE (personal protective equipment)

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

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