535338
2-Chloro-3-pyridinecarbonitrile
98%
Synonym(s):
2-Chloronicotinonitrile
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About This Item
Empirical Formula (Hill Notation):
C6H3ClN2
CAS Number:
Molecular Weight:
138.55
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
98%
mp
104-107 °C (lit.)
functional group
chloro
nitrile
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
Signal Word
Warning
Hazard Statements
Precautionary Statements
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
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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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