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1,4-Piperazinedicarbonyl dichloride

HCID 11020172
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Basic information

CAS
4858-84-8
Standard SMILES
O=C(Cl)N1CCN(C(=O)Cl)CC1
InChIKey
PCABKZLAPFXTND-UHFFFAOYSA-N
Molecular formula
C6H8Cl2N2O2
Average molar mass
211.04 g/mol
Monoisotopic mass
209.9962829

Names & identifiers

Preferred name
1,4-Piperazinedicarbonyl dichloride
IUPAC
piperazine-1,4-dicarbonyl chloride
English name
1,4-Piperazinedicarbonyl chloride
Molecular formula
C6H8Cl2N2O2
Molecular weight
211.05

Names & synonyms

4858-84-81,4-Piperazinedicarbonyl dichlorideRefChem:417025Piperazine-1,4-dicarbonyl Chloride1,4-bis(chlorocarbonyl)piperazineSCHEMBL9737159PCABKZLAPFXTND-UHFFFAOYSA-NDA-302011,4-Piperazinedicarbonyl chloridePiperazine-1,4-dicarbonyl dichloride

Database identifiers

CAS
4858-84-8
PubChem CID
11020172
Nikkaji
J1.341.210C

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
40.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Formal charge
0
Complexity
180

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Regulatory InformationChemical: 1,4-Piperazinedicarbonyl dichloride
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Chemistry & industry

Upstream & downstream products

Upstream raw materials

PiperazineBenzeneToluenePiperazine dihydrochloridePhosgene

Related reactions

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Compound notes

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