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
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
229-550-1
MDL number:
Assay:
98%
Quality Level
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
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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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.
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 535338-25G | 04061832565132 |
| 535338-500G | 04061832242323 |