1-(3-Hydroxy-4-nitrophenyl)ethan-1-one

Name: 1-(3-Hydroxy-4-nitrophenyl)ethan-1-one
Brand: ChemScene
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CAS No. 89942-63-2
Cat. No. CS-0094501
Purity≥97%
MDL No.MFCD06251786

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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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1-(3-Hydroxy-4-nitrophenyl)ethan-1-one|CS-0094501

Structure of 89942-63-2

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Description

1-(3-Hydroxy-4-nitrophenyl)ethan-1-one features a conjugated ketone linked to a phenolic hydroxyl and a nitro group, delivering enhanced electron-withdrawing character. This arrangement enables direct participation in cross-coupling reactions and facilitates efficient derivatization under mild conditions. The molecule exhibits good solubility in common organic solvents and stability during standard bench handling.

Application

1-(3-Hydroxy-4-nitrophenyl)ethan-1-one serves as a versatile building block in synthetic organic chemistry, enabling the construction of nitro-substituted aromatic scaffolds. The molecule combines a phenolic hydroxyl group with a nitro functionality and a ketone moiety, offering multiple points for derivatization. Its stability under standard bench conditions facilitates straightforward purification and integration into multi-step syntheses, particularly useful in medicinal chemistry for accessing functionalized heterocycles and potential API intermediates.

General Information

CAS No. 89942-63-2
Cat. No. CS-0094501
Purity ≥97%
MDL No. MFCD06251786
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇NO₄
Molecular Weight 181.15
Synonym(s) 3-hydroxy-4-nitrophenylethanone
SMILES CC(C1=CC=C([N+]([O-])=O)C(O)=C1)=O

Computational Chemistry Data

TPSA 80.44
LogP 1.503
H_Acceptors 4
H_Donors 1
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-H315-H319
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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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-(3-Hydroxy-4-nitrophenyl)ethan-1-one

CAS No. 89942-63-2

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