4-((2-Chloroethyl)(methyl)amino)benzaldehyde

Name: 4-((2-Chloroethyl)(methyl)amino)benzaldehyde
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CAS No. 94-31-5
Cat. No. CS-0151253
Purity≥98%
MDL No.MFCD00071777

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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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4-((2-Chloroethyl)(methyl)amino)benzaldehyde|CS-0151253

Structure of 94-31-5

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Description

4-((2-Chloroethyl)(methyl)amino)benzaldehyde features a para-substituted benzaldehyde core with a chloroethyl-methylamino side chain, enabling direct conjugation in bioconjugation workflows. The aldehyde group facilitates efficient oxime ligation, while the pendant amine offers tunable solubility and reactivity. This compound serves as a bifunctional linker for targeted protein modification under physiological conditions.

Application

4-((2-Chloroethyl)(methyl)amino)benzaldehyde serves as a versatile bifunctional building block, enabling the synthesis of pharmaceutically relevant heterocycles and bioactive scaffolds. The aldehyde group facilitates nucleophilic additions and imine formation, while the (2-chloroethyl)(methyl)amino moiety provides a reactive handle for cyclization or conjugate addition reactions. Its bench-stable nature and compatibility with standard purification methods make it well-suited for iterative synthetic workflows in medicinal chemistry and process development.

General Information

CAS No. 94-31-5
Cat. No. CS-0151253
Purity ≥98%
MDL No. MFCD00071777
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₂ClNO
Molecular Weight 197.66
Synonym(s) 4-[N-METHYL-N-(2-CHLOROETHYL)] AMINO BENZALDEHYDE
SMILES CN(CCCl)C1=CC=C(C=C1)C=O

Computational Chemistry Data

TPSA 20.31
LogP 2.1741
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 4

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-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 Functional Group Chloride

Building Blocks Functional Group Aldehyde

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-((2-Chloroethyl)(methyl)amino)benzaldehyde

CAS No. 94-31-5

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