1,1'-(1,3-Phenylene)bis(1H-1,2,4-triazole)

Basic Information

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CAS Number

514222-44-7

Molecular Formula

C10H8N6

Molecular Weight

212.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Density

1.42

SMILES

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c1cc(cc(c1)n2cncn2)n3cncn3

InChI

InChI=1S/C10H8N6/c1-2-9(15-7-11-5-13-15)4-10(3-1)16-8-12-6-14-16/h1-8H

InChIKey

WXNXRKYXCCDJHI-UHFFFAOYSA-N

LogP

0.8479999999999995

Topological Polar Surface Area

61.42 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Synonyms & References

English

1,3-Di(1H-1,2,4-triazol-1-yl)benzene
1,1´-(1,3-Phenylene)bis-
1,1'-(1,3-Phenylene)bis-
1,1'-(1,3-PHENYLENE)BIS-1H-1,2,4-TRIAZOLE
1,1'-(1,3-phenylene)di-1H-1,2,4-triazole
1,1?-(1,3-Phenylene)bis-1H-1,2,4-triazole
1,3-bis(1',2',4'-triazol-1'-yl)benzene
AK142217
FT-0673747
UNII-150GCO461X
1,1′-(1,3-Phenylene)-di-(1H-1,2,4-Triazole)
1,1′-(1,3-Phenylene)bis-1H-1,2,4-triazole

MDL Number

MFCD22666583

FAQ

What are the physical and chemical properties of 1,1'-(1,3-Phenylene)bis(1H-1,2,4-triazole) (CAS: 514222-44-7)?

1,1'-(1,3-Phenylene)bis(1H-1,2,4-triazole) is a crystalline solid with a molecular weight of approximately 232.21 g/mol. It has a low solubility in water but is more soluble in organic solvents like dimethylformamide and dimethyl sulfoxide. Chemically, it is highly stable and exhibits strong reactivity in nucleophilic substitution reactions.

How is 1,1'-(1,3-Phenylene)bis(1H-1,2,4-triazole) (CAS: 514222-44-7) typically synthesized?

1,1'-(1,3-Phenylene)bis(1H-1,2,4-triazole) is commonly synthesized via a multistep process involving the reaction of phenyldiazonium salts with triazole precursors under mild conditions. This method provides high selectivity and yield, with the use of amines as catalysts to promote the coupling reaction.

What industries use 1,1'-(1,3-Phenylene)bis(1H-1,2,4-triazole) (CAS: 514222-44-7)?

1,1'-(1,3-Phenylene)bis(1H-1,2,4-triazole) is utilized in various industries including pharmaceuticals for its antimicrobial properties, polymers for its reinforcing and functionalizing capabilities, sensors for detection of specific gases, and semiconductors for its use in electronic devices due to its excellent thermal and electrical conductivity.

What precautions should be taken when handling 1,1'-(1,3-Phenylene)bis(1H-1,2,4-triazole) (CAS: 514222-44-7)?

When handling 1,1'-(1,3-Phenylene)bis(1H-1,2,4-triazole), it is important to use personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled with caution using appropriate absorbent materials. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.