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686727

Benzo[b]thiophene-2-carbonitrile

Name: Benzo[<I>b</I>]thiophene-2-carbonitrile
Brand: ALDRICH

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

NACRES:

NA.22

PubChem Substance ID:

329761069

UNSPSC Code:

12352100

MDL number:

MFCD09751294

Assay:

97%

Form:

solid

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Properties

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

Description

Application

Useful starter in benzothiophene chemistry.

pictograms

GHS07

signalword

Warning

hcodes

H302,H319

pcodes

P264 - P280 - P301 + P312 - P305 + P351 + P338 - P337 + P313 - P501

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class

11 - Combustible Solids

wgk

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number

08807HH

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2-(2-Thienyl)-5,6-dihydroxy-4-carboxypyrimidines as inhibitors of the hepatitis C virus NS5B polymerase: discovery, SAR, modeling, and mutagenesis.

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

Global Trade Item Number

SKU	GTIN
686727-1G	04061826700495