5-Phenyl-1H-Tetrazole

Basic Information

View in Editor

CAS Number

18039-42-4

Molecular Formula

C7H6N4

Molecular Weight

146.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

View in Editor

C1=CC=C(C=C1)C2=NNN=N2

InChI

InChI=1S/C7H6N4/c1-2-4-6(5-3-1)7-8-10-11-9-7/h1-5H,(H,8,9,10,11)

InChIKey

MARUHZGHZWCEQU-UHFFFAOYSA-N

LogP

0.8666999999999998

Topological Polar Surface Area

54.46 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

122

Synonyms & References

English

CADMIUMTELLURIDE
IDI1_007617
5-Phenyl-1H-tetrazol
5-Phenyltetrazole
SMR000419890
5-phenyl-tetrazole
CHEMBL39261
5-Phenyl-1H-tetrazole, 99%
AC-8304
MLS000779707
3999-10-8
AKOS000262997
Z56887706
PS-4462
L66K25GN4V
MFCD00022388
HMS1408E14
NS00014422
NSC 11138
1H-Tetrazole, 5-phenyl-
NCGC00256045-01
SCHEMBL4950
BDBM50078835
P1109
Enamine_005030
NCGC00246367-01
CS-0016050
DTXCID4024858
DTXSID6044858
phenyl-tetrazole
5-Phenyl-1H-tetraazole #

MDL Number

MFCD00022388

Customs Code

2933990090

FAQ

What is 5-Phenyl-1H-Tetrazole (CAS: 18039-42-4)?

5-Phenyl-1H-Tetrazole (CAS: 18039-42-4) is a heterocyclic organic compound consisting of a tetrazole ring fused with a benzene ring. It has the chemical formula C9H8N4 and is characterized by its stability and reactivity in various chemical reactions. This compound is commonly used as an intermediate in the synthesis of pharmaceutical and agrochemical products.

What are the main uses of 5-Phenyl-1H-Tetrazole (CAS: 18039-42-4)?

5-Phenyl-1H-Tetrazole (CAS: 18039-42-4) is widely used in pharmaceutical research for the development of drugs targeting specific biological pathways. It also serves as a key component in the production of agrochemicals and industrial chemicals. Additionally, it is utilized in organic synthesis as a versatile building block for creating more complex molecules.

Is 5-Phenyl-1H-Tetrazole (CAS: 18039-42-4) safe?

5-Phenyl-1H-Tetrazole (CAS: 18039-42-4) is generally considered safe when handled properly. It has low acute toxicity but should be treated with care to avoid inhalation or skin contact. Safety standards recommend using protective gear such as gloves and goggles, and ensuring proper ventilation in storage and handling areas.

How should 5-Phenyl-1H-Tetrazole (CAS: 18039-42-4) be stored?

5-Phenyl-1H-Tetrazole (CAS: 18039-42-4) should be stored in a cool, dry, and well-ventilated place, away from direct light. It is best kept in a sealed, airtight container to prevent moisture absorption. Storage conditions should maintain a temperature below 25°C and humidity levels below 60% to ensure stability and prolong shelf life.