5-Benzyl-1H-tetrazole

Basic Information

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CAS Number

18489-25-3

Molecular Formula

C8H8N4

Molecular Weight

160.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Powder

Melting Point

123.0 to 127.0 deg-C

Boiling Point

356.6±35.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Flash Point

172.6±18.9 °C

Refractive Index

1.615

Vapor Pressure

0.0±0.8 mmHg at 25°C

SMILES

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C1=CC=C(C=C1)CC2=NNN=N2

InChI

InChI=1S/C8H8N4/c1-2-4-7(5-3-1)6-8-9-11-12-10-8/h1-5H,6H2,(H,9,10,11,12)

InChIKey

HHDRWGJJZGJSGZ-UHFFFAOYSA-N

LogP

0.7904999999999998

Topological Polar Surface Area

54.46 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

133

Safety Information

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Hazard Statement

Synonyms & References

English

Z1000626
5-(Phenylmethyl)-1H-tetrazole
SCHEMBL232998
FT-0657105
Maybridge1_003729
8P-072
MLS000069180
5-benzyltetrazole
SY049525
18489-25-3
EN300-203953
HMS3308D13
HHDRWGJJZGJSGZ-UHFFFAOYSA-N
NSC11121
AKOS000263098
5-BENZYL-1H-1,2,3,4,TETRAZOLE
B3086
5-benzyl-1H-1,2,3,4-tetrazole
NCGC00018694-01
MFCD00068730
Bionet2_000438
HMS1365D20
5-Benzyl-1H-tetrazole
NCGC00018694-02
DTXSID30279040
5-benzyl-2H-tetrazole
AKOS005385178
A880754
HMS552B11
5-phenylmethyltetrazole
CHEMBL1565370

MDL Number

MFCD00054728

Customs Code

2933990090

FAQ

What is 5-Benzyl-1H-tetrazole (CAS: 18489-25-3)?

5-Benzyl-1H-tetrazole is an organic compound with the CAS number 18489-25-3. It is a heterocyclic compound with a molecular formula of C7H7N5. It is characterized by its aromatic and nitrogen-rich structure, making it a versatile building block in chemical synthesis.

What are the main uses of 5-Benzyl-1H-tetrazole (CAS: 18489-25-3)?

5-Benzyl-1H-tetrazole is primarily used in the synthesis of various pharmaceuticals, including antibiotics and antiviral drugs. It also finds applications in research and development for its unique chemical properties, such as its ability to form stable complexes with metal ions.

Is 5-Benzyl-1H-tetrazole (CAS: 18489-25-3) safe?

5-Benzyl-1H-tetrazole is generally considered safe under normal handling conditions. However, it is important to use appropriate personal protective equipment (PPE) such as gloves and goggles, and to ensure proper ventilation. Immediate medical attention should be sought if skin or eye contact occurs, or if inhalation of the compound is suspected.

How should 5-Benzyl-1H-tetrazole (CAS: 18489-25-3) be stored?

5-Benzyl-1H-tetrazole should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption and degradation. Storage temperatures should not exceed 25°C, and the compound should be protected from light exposure to maintain its stability.