5-Chloro-2-methoxybenzyl cyanide

Name: 5-Chloro-2-methoxybenzyl cyanide
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CAS No. 7048-38-6
Cat. No. CS-B1013
Purity≥96%
MDL No.MFCD07348599

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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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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5-Chloro-2-methoxybenzyl cyanide|CS-B1013

Structure of 7048-38-6

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Description

5-Chloro-2-methoxybenzyl cyanide features a strategically positioned nitrile group flanked by electron-withdrawing chlorine and electron-donating methoxy substituents, enhancing its reactivity in nucleophilic addition and coupling processes. This ortho-substituted benzyl cyanide exhibits robust stability under standard bench conditions and facilitates efficient incorporation into complex molecular architectures.

Application

5-Chloro-2-methoxybenzyl cyanide serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling efficient access to substituted benzimidazoles and heterocyclic scaffolds. Its orthogonal functional groups—cyano, chloro, and methoxy—facilitate sequential transformations under mild conditions. The compound exhibits excellent bench stability and compatibility with standard coupling reactions, simplifying purification and scale-up in multi-step syntheses.

General Information

CAS No. 7048-38-6
Cat. No. CS-B1013
Purity ≥96%
MDL No. MFCD07348599
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈ClNO
Molecular Weight 181.62
Synonym(s) (5-Chloro-2-methoxyphenyl)acetonitrile; 2-(5-Chloro-2-methoxyphenyl)acetonitrile
SMILES N#CCC1=CC(Cl)=CC=C1OC

Computational Chemistry Data

TPSA 33.02
LogP 2.41468
H_Acceptors 2
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 Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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5-Chloro-2-methoxybenzyl cyanide

CAS No. 7048-38-6

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