1-(2-Chloro-4-nitrophenyl)ethanone

Name: 1-(2-Chloro-4-nitrophenyl)ethanone
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CAS No. 67818-41-1
Cat. No. CS-W021200
Molecule weight199.59
Purity≥98%
MDL No.MFCD00017340

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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1-(2-Chloro-4-nitrophenyl)ethanone|CS-W021200

Structure of 67818-41-1

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General Information

CAS No. 67818-41-1
Cat. No. CS-W021200
Purity ≥98%
MDL No. MFCD00017340
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆ClNO₃
Molecular Weight 199.59
Synonym(s) 1-(2-CHLORO-4-NITROPHENYL)ETHAN-1-ONE
SMILES CC(C1=CC=C([N+]([O-])=O)C=C1Cl)=O

Description

1-(2-Chloro-4-nitrophenyl)ethanone features a chlorinated, electron-deficient aryl core paired with a reactive acetyl group, enabling direct integration into electrophilic coupling and C–C bond-forming reactions. This bench-stable ketone serves as a key intermediate in the synthesis of functionalized heterocycles and pharmaceutical scaffolds.

Application

1-(2-Chloro-4-nitrophenyl)ethanone serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of biologically relevant heterocycles and functionalized aromatic systems. Its dual electron-withdrawing groups (chloro and nitro) enhance electrophilicity at the aryl ring, facilitating nucleophilic substitution and coupling reactions. The ketone functionality provides a handle for further derivatization via enolization or reduction. Bench-stable and readily purified by recrystallization, it functions reliably in multistep syntheses targeting pharmaceutical intermediates and agrochemical scaffolds.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 60.21
LogP 2.4508
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(2-Chloro-4-nitrophenyl)ethanone

CAS No. 67818-41-1

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