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Safety Information

760080

Sigma-Aldrich

4′-Mercaptobiphenylcarbonitrile

97% (GC)

Synonym(s):

4′-Mercapto-[1,1′-biphenyl]-4-carbonitrile

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About This Item

Empirical Formula (Hill Notation):
C13H9NS
CAS Number:
64409-12-7
Molecular Weight:
211.28
MDL number:
MFCD22417214
UNSPSC Code:
12352103
PubChem Substance ID:
329766836
NACRES:
NA.23

Quality Level

100

Assay

97% (GC)

form

powder

mp

127-132 °C

SMILES string

Sc1ccc(cc1)-c2ccc(cc2)C#N

InChI

1S/C13H9NS/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8,15H

InChI key

ZZSHJNKMDIZSFY-UHFFFAOYSA-N

Application

This material is used to tune the electronic properties and subsequent surface coverage of gold surfaces/monolayer.

Pictograms

CorrosionEnvironment
GHS05,GHS09

Signal Word

Danger

Hazard Statements

H318,H400

Hazard Classifications

Aquatic Acute 1 - Eye Dam. 1

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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

760080-BULK:
760080-250MG:4548173311555
760080-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
MKBK9378

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Nikolaus Meyerbröker et al.
Langmuir : the ACS journal of surfaces and colloids, 28(25), 9583-9592 (2012-06-02)
Here we describe the behavior of self-assembled monolayers (SAMs) of 4'-cyanobiphenyl-4-thiol (CBPT) on Au(111) upon electron irradiation. Under such a treatment, the aromatic framework of CBPT SAMs is laterally cross-linked while the nitrile groups, located at the SAM-ambience interface, are
Ferdinand Rissner et al.
ACS nano, 4(11), 6735-6746 (2010-11-05)
The electronic structure of mixed self-assembled monolayers (SAMs) on Au(111) surfaces is modeled using slab-type density-functional theory calculations. The studied molecules have a dipolar character induced by polar and electron donating or accepting tail-group substituents. The resulting electronic structure of

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