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B58407

Sigma-Aldrich

4-Bromobenzonitrile

99%

Synonym(s):

1-Bromo-4-benzonitrile, 1-Bromo-4-cyanobenzene, 1-Cyano-4-bromobenzene, 4-Bromocyanobenzene, 4-Bromophenyl cyanide, 4-Bromophenylcarbonitrile

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About This Item

Linear Formula:
BrC6H4CN
CAS Number:
623-00-7
Molecular Weight:
182.02
Beilstein:
2041518
EC Number:
210-764-9
MDL number:
MFCD00001811
UNSPSC Code:
12352100
PubChem Substance ID:
24891868
NACRES:
NA.22

Quality Level

200

Assay

99%

form

solid

bp

235-237 °C (lit.)

mp

110-115 °C (lit.)

SMILES string

Brc1ccc(cc1)C#N

InChI

1S/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H

InChI key

HQSCPPCMBMFJJN-UHFFFAOYSA-N

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Application

4-Bromobenzonitrile has been used in the synthesis of 4-iodobenzonitrile via photo-induced aromatic Finkelstein iodination reaction. It can also be used as an aryl halide test compound in developing greener reaction conditions for Suzuki cross-coupling between aryl halides and phenyl boronic acid.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 + H312,H319,H412

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Irrit. 2

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 2

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

B58407-50G:4548173189239
B58407-10G:4548173189222
B58407-BULK:
B58407-5KG:
B58407-VAR:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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A new air and moisture stable robust bio?polymer based palladium catalyst for highly efficient synthesis of biaryl compounds.
Baran T
Applied Organometallic Chemistry, 32(2) (2018)
Photo-induced iodination of aryl halides under very mild conditions.
Li L
Nature Protocols, 11(10), 1948-1948 (2016)
Magnetic nanoparticle?tethered Schiff base?palladium (II): Highly active and reusable heterogeneous catalyst for Suzuki?Miyaura cross?coupling and reduction of nitroarenes in aqueous medium at room temperature.
Manjunatha K
Applied Organometallic Chemistry (2018)
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