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535338

Sigma-Aldrich

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
EC Number:
229-550-1
MDL number:
MFCD00014628
UNSPSC Code:
12352100
PubChem Substance ID:
24877547
NACRES:
NA.22

Assay

98%

mp

104-107 °C (lit.)

SMILES string

Clc1ncccc1C#N

InChI

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

InChI key

JAUPUQRPBNDMDT-UHFFFAOYSA-N

Related Categories

Pictograms

Exclamation mark
GHS07

Signal Word

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 Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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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