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167215

3-Bromotoluene

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About This Item

Linear Formula:
CH3C6H4Br
CAS Number:
591-17-3
Molecular Weight:
171.03
NACRES:
NA.22
PubChem Substance ID:
24850201
eCl@ss:
39060138
UNSPSC Code:
12352100
EC Number:
209-702-3
MDL number:
MFCD00000085
Beilstein/REAXYS Number:
1903633
Assay:
98%
Form:
liquid
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Quality Segment

100

assay

98%

form

liquid

refractive index

n20/D 1.552 (lit.)

bp

183.7 °C (lit.)

mp

−40 °C (lit.)

density

1.41 g/mL at 25 °C (lit.)

functional group

bromo

SMILES string

Cc1cccc(Br)c1

InChI

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

InChI key

WJIFKOVZNJTSGO-UHFFFAOYSA-N

General description

3-Bromotoluene is an electron-rich aryl bromide. It participates in the Heck reaction. 3-Bromotoluene undergoes palladium-catalyzed cyanation reaction in the presence of K4[Fe(CN)6] as the cyanide surrogate. It undergoes palladium-catalysed reaction with alkynyltriarylborates to yield trisubstituted alkenylboranes.

Application

3-Bromotoluene was used in the precise determination of bromine isotope ratio in organic compounds by MC-ICPMS ( Multicollector-Inductively Coupled Plasma Mass Spectrometer).

pictograms

FlameSkull and crossbones
GHS02,GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

140.0 °F

flash_point_c

60 °C

ppe

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

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