1-(2-Nitrophenyl)ethanone

Name: 1-(2-Nitrophenyl)ethanone
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CAS No. 577-59-3
Cat. No. CS-W017892
Purity≥98%
MDL No.MFCD00007144

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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+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 577-59-3

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Description

1-(2-Nitrophenyl)ethanone features a nitro-substituted phenyl ring directly conjugated to a ketone group, enabling efficient electrophilic reactivity in C–C bond formation. This electron-deficient aryl ketone integrates readily into synthetic pathways requiring polarized carbonyl functionality and serves as a robust scaffold for further functionalization under standard bench conditions.

Application

1-(2-Nitrophenyl)ethanone serves as a versatile building block in synthetic organic chemistry, enabling the construction of substituted heterocycles and functionalized aromatic systems. Its ortho-nitro group facilitates directed ortho-metalation and participates in regioselective transformations, while the acetyl moiety offers compatibility with standard functional group interconversions. The compound exhibits bench stability and is amenable to purification via recrystallization or chromatography, supporting its use in multi-step synthesis workflows.

General Information

CAS No. 577-59-3
Cat. No. CS-W017892
Purity ≥98%
MDL No. MFCD00007144
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇NO₃
Molecular Weight 165.15
Synonym(s) o-nitrophenyl methyl ketone
SMILES CC(C1=C([N+]([O-])=O)C=CC=C1)=O

Computational Chemistry Data

TPSA 60.21
LogP 1.7974
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

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Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(2-Nitrophenyl)ethanone

CAS No. 577-59-3

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