1-Chloroethyl 4-nitrophenyl carbonate

Name: 1-Chloroethyl 4-nitrophenyl carbonate
Brand: ChemScene
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CAS No. 101623-69-2
Cat. No. CS-M3307
Purity≥98%
MDL No.MFCD19441847

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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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1-Chloroethyl 4-nitrophenyl carbonate|CS-M3307

Structure of 101623-69-2

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Description

1-Chloroethyl 4-nitrophenyl carbonate is a bench-stable, moisture-tolerant reagent featuring a reactive chloroethyl carbonate moiety paired with an electron-deficient para-nitrophenyl leaving group. This combination enables efficient carbamoylation and urethane formation under mild conditions, streamlining the synthesis of protected amines and peptide derivatives in medicinal chemistry workflows.

Application

1-Chloroethyl 4-nitrophenyl carbonate serves as a stable, bench-ready carbamoylating agent that facilitates the efficient introduction of urea and thiourea functionalities. Its reactivity with amines proceeds under mild conditions to yield substituted ureas with high purity and minimal side products. The 4-nitrophenyl leaving group ensures excellent nucleophilic displacement, enabling broad functional group tolerance and straightforward purification via crystallization or chromatography. This reagent functions effectively in both small-molecule synthesis and peptide modification workflows.

General Information

CAS No. 101623-69-2
Cat. No. CS-M3307
Purity ≥98%
MDL No. MFCD19441847
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈ClNO₅
Molecular Weight 245.62
Synonym(s) 1-Chloroethyl p-nitrophenyl carbonate; 1-chloroethyl (4-nitrophenyl) Carbonate
SMILES CC(Cl)OC(OC1=CC=C([N+]([O-])=O)C=C1)=O

Computational Chemistry Data

TPSA 78.67
LogP 2.695
H_Acceptors 5
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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Chloroethyl 4-nitrophenyl carbonate

CAS No. 101623-69-2

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