3,4,5-Trimethoxybenzonitrile

Name: 3,4,5-Trimethoxybenzonitrile
Brand: ChemScene
Availability: InStock
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CAS No. 1885-35-4
Cat. No. CS-W015775
Purity≥98%
MDL No.MFCD00001803

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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 1885-35-4

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Description

3,4,5-Trimethoxybenzonitrile features a highly electron-rich aromatic core stabilized by three methoxy groups, enabling efficient coupling in cross-coupling reactions. The nitrile functionality provides a handle for downstream transformations, while the trimethoxy substitution enhances solubility and stability under standard conditions.

Application

3,4,5-Trimethoxybenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, offering enhanced solubility and metabolic stability through its three methoxy groups. The nitrile functionality enables straightforward transformations into carboxylic acids, amides, or amines via standard hydrolysis or reduction protocols. Its bench-stable nature and compatibility with common coupling reactions make it a practical choice for constructing complex heterocyclic scaffolds and functionalized aromatic systems.

General Information

CAS No. 1885-35-4
Cat. No. CS-W015775
Purity ≥98%
MDL No. MFCD00001803
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₁NO₃
Molecular Weight 193.20
Synonym(s) NSC 4089243,4,5-Trimethoxy benzonitrile
SMILES N#CC1=CC(OC)=C(OC)C(OC)=C1

Computational Chemistry Data

TPSA 51.48
LogP 1.58408
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 3

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+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3,4,5-Trimethoxybenzonitrile

CAS No. 1885-35-4

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