433349

Cyclen tetrahydrochloride

98%

• Synonym(s): 1,4,7,10-Tetraazacyclododecane tetrahydrochloride
• Empirical Formula (Hill Notation): C₈H₂₀N₄ · 4HCl
• CAS Number: 10045-25-7
• Molecular Weight: 318.11
• MDL number: MFCD00068484
• UNSPSC Code: 12352100
• PubChem Substance ID: 24867136
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 98%
• form: solid
• mp: >293 °C (dec.) (lit.)
• SMILES string: Cl[H].Cl[H].Cl[H].Cl[H].C1CNCCNCCNCCN1
• InChI: 1S/C8H20N4.4ClH/c1-2-10-5-6-12-8-7-11-4-3-9-1;;;;/h9-12H,1-8H2;4*1H
• InChI key: SBWLCGZEBQGYRP-UHFFFAOYSA-N

Description

General description

Cyclen tetrahydrochloride is a macrocycle hydrochloride salt. It can be synthesized using perhydro-2a,4a,6a,8a-tetraazacyclopenteno[1,3-f,g]acenaphthylene as a precursor. Cyclen tetrahydrochloride has an orthorhombic crystal structure. Cations are reported to exhibit crystallographic two-fold rotation symmetry and [3333] quadrangular conformation, having protonated N atoms at corner positions. Synthesis of cyclen from the corresponding butanedione-protected linear tetramines has been reported.

Application

Cyclen tetrahydrochloride may be used for the synthesis of 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrakis(methyleneethylphosphinic acid), a new macrocyclic polyaza polyphosphinate ligand. It may also be used in the synthesis of anthraquinone-pendant cyclen.

Safety Information

• Pictograms: GHS06,GHS05,GHS09
• Signal Word: Danger
• Hazard Statements: H302,H311,H314,H410
• Precautionary Statements: P260 - P273 - P280 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Corr. 1B
• Storage Class Code: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves