4-Chloro-1,1-diethoxybutane

Name: 4-Chloro-1,1-diethoxybutane
Brand: ChemScene
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CAS No. 6139-83-9
Cat. No. CS-0014683
Purity≥98%
MDL No.MFCD00671476

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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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Description

4-Chloro-1,1-diethoxybutane is a bench-stable alkylating agent featuring a reactive chloride and two ethoxy groups that enhance solubility in organic media. This structure enables efficient coupling in nucleophilic substitution reactions, particularly in the synthesis of functionalized ethers and complex molecular scaffolds under standard conditions.

Application

4-Chloro-1,1-diethoxybutane serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of functionalized alkyl chains and heterocyclic scaffolds. Its chloro group facilitates nucleophilic substitution reactions, while the geminal diethoxy moiety provides stability and modulates reactivity. The compound exhibits good bench stability and ease of purification, making it well-suited for use in multi-step syntheses, including those targeting pharmaceutical intermediates and agrochemicals.

General Information

CAS No. 6139-83-9
Cat. No. CS-0014683
Purity ≥98%
MDL No. MFCD00671476
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₇ClO₂
Molecular Weight 180.67
Synonym(s) 4-Chloro-1,1-diethoxybutane; 4-Chlorobutanal diethyl acetal; 4-Chlorobutyraldehyde diethyl acetal; NSC 96467; 4-CHLORO BUTANAL DIETHYL ACETAL
SMILES CCOC(OCC)CCCCl

Computational Chemistry Data

TPSA 18.46
LogP 2.4045
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 7

Safety Information

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GHS Pictogram :	GHS No : GHS02,GHS07
Signal Word : Danger	UN#: 1993
Class : 3	Packing Group : Ⅲ
Hazard Statements : H225-H315-H319
Precautionary Statements : P210-P233-P240-P241-P242-P243-P264-P280-P302+P352-P362+P364-P370+P378-P501

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Other Classifications

Building Blocks Functional Group Ether

Building Blocks Skeleton Fatty chain compounds

Key Words

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4-Chloro-1,1-diethoxybutane

CAS No. 6139-83-9

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