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145610

Sigma-Aldrich

3-(Bromomethyl)benzonitrile

95%

Synonym(s):

α-Bromo-m-tolunitrile, 3-Cyanobenzyl bromide

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About This Item

Linear Formula:
BrCH2C6H4CN
CAS Number:
28188-41-2
Molecular Weight:
196.04
Beilstein:
742356
EC Number:
248-890-1
MDL number:
MFCD00001809
UNSPSC Code:
12352100
PubChem Substance ID:
24848737
NACRES:
NA.22

Quality Level

100

Assay

95%

mp

93-96 °C

functional group

bromo
nitrile

SMILES string

BrCc1cccc(c1)C#N

InChI

1S/C8H6BrN/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5H2

InChI key

CVKOOKPNCVYHNY-UHFFFAOYSA-N

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General description

3-(Bromomethyl)benzonitrile undergoes Suzuki cross-coupling reaction with bis(pinacolato)diboron.

Application

3-(Bromomethyl)benzonitrile was used in the synthesis of 3-(bromomethyl)benzaldehyde.

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)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

JAN Code

145610-BULK:
145610-1G:4548173105574
145610-1KG:
145610-50G:4548173105581
145610-10G:4548173105567
145610-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
BCBB1703
BCBJ8124V
BCBJ7009V
S16614V
07825HU

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Lydia C Gilday et al.
Dalton transactions (Cambridge, England : 2003), 41(23), 7092-7097 (2012-05-09)
Triazole and triazolium groups have been integrated into a zinc(II) metalloporphyrin-based structural framework to produce two porphyrin-cages for anion sensing applications. UV/visible spectroscopic titration investigations reveal both host systems exhibit strong anion binding affinities, with the positively-charged triazolium-porphyrin cage capable
Synthesis of benzylic boronates via palladium-catalyzed cross-coupling reaction of bis (pinacolato) diboron with benzylic halides.
Giroux A.
Tetrahedron Letters, 44(2), 233-235 (2003)

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