5-Methyl-1H-tetrazole

Basic Information

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CAS Number

4076-36-2

Molecular Formula

C2H4N4

Molecular Weight

84.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

145.0 to 148.0 deg-C

Boiling Point

233.3ºC at 760 mmHg

Density

1.3190

Water Solubility

Soluble in water.

Flash Point

116.7ºC

Refractive Index

1.533

SMILES

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CC1=NNN=N1

InChI

InChI=1S/C2H4N4/c1-2-3-5-6-4-2/h1H3,(H,3,4,5,6)

InChIKey

XZGLNCKSNVGDNX-UHFFFAOYSA-N

LogP

-0.49188000000000004

Topological Polar Surface Area

54.46 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

44.8

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

5-Methyltetrazole
M 5T
XJM
5-Methyl-1H-tetrazole, 97%
5-Methyl-1H-tetrazole
BCP22228
BB 0262337
5-methyl-2H-1,2,3,4-tetrazole
51855-49-3
5-Methyl tetrazole
Tetrazole, 5-methyl-
FT-0602357
J-517733
Methyltetrazole
5-methyl-2H-tetrazole
5-Methyl-1H-1,2,3,4-tertazole
F0001-1152
NSC11136
EN300-104530
5-methyl-1h tetrazole
1H-Tetrazole, 5-methyl-
5-METHYL-1H-1,2,3,4-TETRAZOLE
A825278
XZGLNCKSNVGDNX-UHFFFAOYSA-
InChI=1/C2H4N4/c1-2-3-5-6-4-2/h1H3,(H,3,4,5,6)
4076-36-2
MFCD00129971
NSC-11136
UNII-G22VBQ3QPY
AKOS000263048
SY031544

MDL Number

MFCD00129971

Customs Code

2933990090

FAQ

What is 5-Methyl-1H-tetrazole (CAS: 4076-36-2)?

5-Methyl-1H-tetrazole (CAS: 4076-36-2) is a heterocyclic organic compound containing a tetrazole ring with a methyl group at the 5th position. It is known for its stability and reactivity in chemical reactions. The chemical formula is C3H6N4, and it typically appears as a white crystalline solid with a slightly acidic character.

What are the main uses of 5-Methyl-1H-tetrazole (CAS: 4076-36-2)?

5-Methyl-1H-tetrazole (CAS: 4076-36-2) is widely used in pharmaceutical research as a building block for drug development. It also finds applications in agrochemicals and industrial chemicals due to its reactivity. Additionally, it is used in the synthesis of various organic compounds and as a precursor in chemical research for functional group transformations.

Is 5-Methyl-1H-tetrazole (CAS: 4076-36-2) safe?

5-Methyl-1H-tetrazole (CAS: 4076-36-2) is generally considered safe when handled properly. However, it should be treated with caution as it may have irritant properties. Safety standards recommend using personal protective equipment (PPE) such as gloves and goggles. Proper ventilation and adherence to standard chemical safety protocols are essential for safe handling.

How should 5-Methyl-1H-tetrazole (CAS: 4076-36-2) be stored?

5-Methyl-1H-tetrazole (CAS: 4076-36-2) should be stored in a cool, dry, and well-ventilated area away from moisture and light. It is typically kept in a sealed, airtight container to maintain its stability. Storage conditions should be below 25°C and in a humidity-controlled environment to prevent degradation.