6,7-Dihydro-2-phenyl-5H-pyrrolo[2,1-c]-1,2,4-triazolium chloride, min. 98%

• CAS: 828914-68-7
• Catalog Number: ACM828914687
• Category: Other Products
• Molecular Weight: 223.704g/mol
• Molecular Formula: C11H14ClN3
• Synonyms: 828914-68-7;CTK5F0182;DTXSID40722618;5H-Pyrrolo[2,1-c]-1,2,4-triazoliuM,6,7-dihydro-2-phenyl-,chloride;2-Phenyl-1,2,3,5,6,7-hexahydropyrrolo[2,1-c][1,2,4]triazol-4-ium chloride;5H-Pyrrolo[2,1-c]-1,2,4-triazolium,6,7-dihydro-2-phenyl-, chloride (1:1)
• IUPAC Name: 2-phenyl-3,5,6,7-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]triazol-4-ium;chloride
• Canonical SMILES: C1CC2=[N+](C1)CN(N2)C3=CC=CC=C3.[Cl-]
• InChI: InChI=1S/C11H13N3.ClH/c1-2-5-10(6-3-1)14-9-13-8-4-7-11(13)12-14;/h1-3,5-6H,4,7-9H2;1H
• InChI Key: FRPZAASMSPGXLF-UHFFFAOYSA-N
• Application: Reagent used for the conversion of α-haloaldehydes into acylating agents via a catalyzed internal redox reaction.; ; Reagent used for reduction of styryl and propargylic alcohols.; ; Catalyst for the synthesis of 3-substituted phthalides.
• Complexity: 253
• Covalently-Bonded Unit Count: 2
• Exact Mass: 223.088g/mol
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 15
• Monoisotopic Mass: 223.088g/mol
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 18.3A^2

Custom Reviews

April 6, 2023

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Useful nitrogen ligands
In the synthesis of new complexes, 6,7-Dihydro-2-phenyl-5H-pyrrolo[2,1-c]-1,2,4-triazolium chloride can be used as a metal ligand to prepare new complexes.

Custom Q&A

What is the Molecular formula of 6,7-Dihydro-2-phenyl-5H-pyrrolo[2,1-c]-1,2,4-triazolium chloride, min. 98%?

C11H12ClN3

What is the Molecular weight of 6,7-Dihydro-2-phenyl-5H-pyrrolo[2,1-c]-1,2,4-triazolium chloride, min. 98%?

221.69

What is the InChIKey of 6,7-Dihydro-2-phenyl-5H-pyrrolo[2,1-c]-1,2,4-triazolium chloride, min. 98%?

FRPZAASMSPGXLF-UHFFFAOYSA-N

What is the SMILES of 6,7-Dihydro-2-phenyl-5H-pyrrolo[2,1-c]-1,2,4-triazolium chloride, min. 98%?

C1CC2=[N+](C1)CN(N2)C3=CC=CC=C3.[Cl-]

What is the Form of 6,7-Dihydro-2-phenyl-5H-pyrrolo[2,1-c]-1,2,4-triazolium chloride, min. 98%?

Powder, off-white

What is the Melting point of 6,7-Dihydro-2-phenyl-5H-pyrrolo[2,1-c]-1,2,4-triazolium chloride, min. 98%?

180-184 °C

What is the Storage condition of 6,7-Dihydro-2-phenyl-5H-pyrrolo[2,1-c]-1,2,4-triazolium chloride, min. 98%?

Store under inert gas (nitrogen or Argon) at 2-8°C

What is the Hazard Statements of 6,7-Dihydro-2-phenyl-5H-pyrrolo[2,1-c]-1,2,4-triazolium chloride, min. 98%?

H302-H312-H332

What is the PSA of 6,7-Dihydro-2-phenyl-5H-pyrrolo[2,1-c]-1,2,4-triazolium chloride, min. 98%?

21.7

Synthetic Use

Downstream Synthesis Route 1

• 828914-68-7
• 20667-12-3

• 873297-29-1

Reference: [1]Organometallics,2005,vol. 24,p. 6301 - 6309

* For details of the synthesis route, please refer to the original source to ensure accuracy.