4-(4-Chlorophenyl)-4-oxobutanenitrile structure

4-(4-Chlorophenyl)-4-oxobutanenitrile

4-(4-chlorophenyl)-4-oxobutanenitrile

Also Known As: 4-(4-Chlorophenyl)-4-oxobutanenitrile|4-(4-Chlorophenyl)-4-oxobutyronitrile|KS-00003C6D|6-bromo-2-chloro-3-ethyl-quinoline|4-Oxo-4-(4-chlorophenyl)butanenitrile|4-(4-chlorophenyl)-4-oxo-butanenitrile|4-(4-chlorophenyl)-4-oxo-butyronitrile|4-(4-Chlorophenyl)-4-oxobutanenitrile #|Butanenitrile, 4-(4-chlorophenyl)-4-oxo-|4-Oxo-4-(4-chlor-phenyl)-buttersaeure-nitril|6X-0945|846-862-9

CAS: 40394-87-4
Molecular Formula C10H8ClNO
Molecular Weight 193.02943 g/mol
LogP 1.9
Topological Polar Surface Area 40.9 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
Rotatable Bonds 3
Exact Mass 193.02943
Monoisotopic Mass 193.02943
Heavy Atoms 13
Complexity 222.0

Chemical Identifiers

CAS Number 40394-87-4
SMILES C1=CC(=CC=C1C(=O)CCC#N)Cl
InChIKey UJXMMEVNYHPAPU-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (2 patents) Heterocyclic Building Blocks (6 patents)

Product Overview

4-(4-Chlorophenyl)-4-oxobutanenitrile (CAS 40394-87-4), with molecular formula C10H8ClNO and molecular weight 193.02943 g/mol. IUPAC: 4-(4-chlorophenyl)-4-oxobutanenitrile.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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4-(4-Chlorophenyl)-4-oxobutanenitrile is a custom synthesis product. We offer services from milligram to kilogram scale.

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