3-Hydroxy-4-nitrobenzonitrile

Name: 3-Hydroxy-4-nitrobenzonitrile
Brand: ChemScene
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CAS No. 18495-15-3
Cat. No. CS-W006961
Purity≥98%
MDL No.MFCD06657032

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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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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3-Hydroxy-4-nitrobenzonitrile|CS-W006961

Structure of 18495-15-3

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Description

3-Hydroxy-4-nitrobenzonitrile features a strategically positioned hydroxyl group flanked by electron-withdrawing nitro and nitrile functionalities, enabling direct incorporation into conjugated systems. This combination imparts enhanced solubility and reactivity in synthetic transformations, particularly under mild conditions. The molecule's polarity facilitates purification and handling in process development workflows.

Application

3-Hydroxy-4-nitrobenzonitrile serves as a versatile building block in synthetic organic chemistry, enabling access to substituted heterocycles and functionalized aromatic scaffolds. Its strategic placement of hydroxyl, nitro, and nitrile groups provides orthogonal reactivity for sequential transformations. The compound exhibits good bench stability and facilitates efficient purification, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.

General Information

CAS No. 18495-15-3
Cat. No. CS-W006961
Purity ≥98%
MDL No. MFCD06657032
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄N₂O₃
Molecular Weight 164.12
Synonym(s) None
SMILES N#CC1=CC(O)=C([N+]([O-])=O)C=C1

Computational Chemistry Data

TPSA 87.16
LogP 1.17208
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 3439
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H300-H311+H331-H412
Precautionary Statements : P261-P264-P273-P280

Quality Control

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Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Hydroxy-4-nitrobenzonitrile

CAS No. 18495-15-3

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