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Merck
CN

535338

2-Chloro-3-pyridinecarbonitrile

98%

Synonym(s):

2-Chloronicotinonitrile

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About This Item

Empirical Formula (Hill Notation):
C6H3ClN2
CAS Number:
6602-54-6
Molecular Weight:
138.55
NACRES:
NA.22
PubChem Substance ID:
24877547
UNSPSC Code:
12352100
EC Number:
229-550-1
MDL number:
MFCD00014628
Assay:
98%

Key Documents

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InChI key

JAUPUQRPBNDMDT-UHFFFAOYSA-N

InChI

1S/C6H3ClN2/c7-6-5(4-8)2-1-3-9-6/h1-3H

SMILES string

Clc1ncccc1C#N

assay

98%

mp

104-107 °C (lit.)

functional group

chloro, nitrile

Quality Level

100

Related Categories

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

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

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
15019KA
15327AB
09715KI
04723KA
S04886

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Katalin Nógrádi et al.
Bioorganic & medicinal chemistry letters, 24(16), 3845-3849 (2014-07-16)
An HTS campaign of our corporate compound library resulted in thieno[2,3-b]pyridines derivative hits with mGluR5 negative allosteric modulator effects. During the hit-to-lead development our objective was to improve affinity, and to keep the ligand efficiency values at an acceptable level.

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