Skip to Content
Merck
All Photos(1)

Key Documents

Safety Information

686727

Sigma-Aldrich

Benzo[b]thiophene-2-carbonitrile

97%

Synonym(s):

2-Cyanobenzothiophene, Thianaphthene-2-carbonitrile

Sign Into View Organizational & Contract Pricing


About This Item

Empirical Formula (Hill Notation):
C9H5NS
CAS Number:
Molecular Weight:
159.21
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

97%

form

solid

bp

140 °C/0.5 mmHg

mp

24-28 °C

functional group

nitrile

SMILES string

N#Cc1cc2ccccc2s1

InChI

1S/C9H5NS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H

InChI key

RCYHXESNWFYTCU-UHFFFAOYSA-N

Application

Useful starter in benzothiophene chemistry.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

>230.0 °F - closed cup

Flash Point(C)

> 110 °C - closed cup

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

686727-BULK:
686727-1G:4548173287188
686727-VAR:


Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Uwe Koch et al.
Journal of medicinal chemistry, 49(5), 1693-1705 (2006-03-03)
Infections caused by hepatitis C virus (HCV) are a significant world health problem for which novel therapies are in urgent demand. The polymerase of HCV is responsible for the replication of viral RNA. We recently disclosed dihydroxypyrimidine carboxylates 2 as

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service