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Merck
CN

124664

4-Bromophenylacetonitrile

98%

Synonym(s):

4-Bromobenzyl cyanide

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About This Item

Linear Formula:
BrC6H4CH2CN
CAS Number:
16532-79-9
Molecular Weight:
196.04
NACRES:
NA.22
PubChem Substance ID:
24847621
UNSPSC Code:
12352100
EC Number:
240-602-2
MDL number:
MFCD00001916
Assay:
98%
Form:
solid

Key Documents

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Product Name

4-Bromophenylacetonitrile, 98%

InChI key

MFHFWRBXPQDZSA-UHFFFAOYSA-N

InChI

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

SMILES string

Brc1ccc(CC#N)cc1

assay

98%

form

solid

mp

47-49 °C (lit.)

functional group

bromo
nitrile

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Application

4-Bromophenylacetonitrile has been used in the synthesis of :
  • new fluorene-based alternating polymers
  • light-emitting copolymer, poly(N 4,N 4-bis-(4-phenyl)-N 4,N 4′-bis-[4-(2-ethylhexyloxy)phenyl]-biphenyl-4,4′-diamine-co-1,2-bis(4′-phenyl)-1-(9′′,9′′-dihexyl-3-fluorenyl)ethane) using a Yamamoto coupling reaction
  • N-methyl-3,4-bis(4-(N-(1-naphthyl)phenylamino)phenyl)maleimide, a novel non-doped red organic light-emitting diode (OLED) material

General description

4-Bromophenylacetonitrile undergoes reduction using 1,1,3,3-tetramethyldisiloxane activated by a non-toxic titanium(IV) isopropoxide to yield 4-bromophenylethylamine.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
WXBC6784V
WXBC6783V
WXBC6782V
S87844V
S87844

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Hsiu-Chih Yeh et al.
Chemical communications (Cambridge, England), (20)(20), 2632-2633 (2003-11-05)
Bright (maximum 10034 cd m(-2), 455 cd m(-2) at 20 mA cm(-2)) and efficient (maximum 2.4% at 4 mA cm(-2)) red (lambda(max)el 634-636 nm) organic light-emitting diodes employ arylamino-substituted fumaronitrile as the novel host emitter, which is readily prepared and
Synthesis and device performance of new efficient blue copolymers containing biphenylenevinylene and triphenyldiamine.
Oh DH, et al.
Macromolecular Research, 19(6), 629-634 (2011)
A mild and efficient method for the reduction of nitriles.
Laval S, et al.
Tetrahedron Letters, 50(50), 7005-7007 (2009)
Polymeric light emitting properties and structural relationships of fluorene-based conjugated copolymers containing various hole transporting derivatives.
Park JH, et al.
Organic Electronics, 8(2), 272-285 (2007)
Bocheng Wu et al.
Bioorganic & medicinal chemistry, 28(6), 115345-115345 (2020-02-18)
Signal transducer and activator of transcription 3 (STAT3) is an oncogenic transcription factor which has been recognized as a promising cancer therapeutic target. Small molecule pyrimethamine (PYM) is a known direct inhibitor of activated STAT3 and it is currently under
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