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686727

Sigma-Aldrich

Benzo[b]thiophene-2-carbonitrile

97%

Synonym(s):

2-Cyanobenzothiophene, Thianaphthene-2-carbonitrile

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About This Item

Empirical Formula (Hill Notation):
C9H5NS
CAS Number:
55219-11-9
Molecular Weight:
159.21
MDL number:
MFCD09751294
UNSPSC Code:
12352100
PubChem Substance ID:
329761069
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
GHS07

signalword

Warning

hcodes

H302,H319

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

>230.0 °F - closed cup

flash_point_c

> 110 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
08807HH

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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

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