1-[(4-Methylphenyl)sulfonyl]-3-nitro-1H-1,2,4-triazole

Basic Information

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CAS Number

77451-51-5

Molecular Formula

C9H8N4O4S

Molecular Weight

268.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

132.0 to 136.0 deg-C

Density

1.5000

SMILES

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CC1=CC=C(C=C1)S(=O)(=O)N2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C9H8N4O4S/c1-7-2-4-8(5-3-7)18(16,17)12-6-10-9(11-12)13(14)15/h2-6H,1H3

InChIKey

ZQMJAWSQRGYFBM-UHFFFAOYSA-N

LogP

2.33570

Complexity

407

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

Synonyms & References

English

3-Nitro-1-tosyl-1H-1,2,4-triazole
SCHEMBL1123625
AM83872
3-Nitro-1-tosyl-1H-1,2,4-triazole (TSNT)
1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazol
FT-0641648
TSNT?1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole
77451-51-5
CS-W010110
J-503610
1-(4-Methylbenzene-1-sulfonyl)-3-nitro-1H-1,2,4-triazole
3-Nitro-1-(p-toluenesulfonyl)-1,2,4-triazole
1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole, 98%
DTXSID90350783
1-(4-methylphenyl)sulfonyl-3-nitro-1,2,4-triazole
AS-17608
T2930
1-(P-toluenesulfonyl)-3-nitro-1,2,4-tri-azole
AKOS015840375
T72931
MFCD00009756
1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole TSNT
1-(4-Toluenesulfonyl)-3-nitro-1,2,4-triazole
3-Nitro-1-tosyl-1,2,4-triazole
C9H8N4O4S
1-(4-methylbenzenesulfonyl)-3-nitro-1H-1,2,4-triazole
1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole
AC-24892
TSNT
1-((P)-Toluenesulfonyl)-3-nitro-1,2,4-triazole
1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazoleTSNT

MDL Number

MFCD00009756

Customs Code

2933990090

FAQ

What is 1-[(4-Methylphenyl)sulfonyl]-3-nitro-1H-1,2,4-triazole (CAS: 77451-51-5)?

1-[(4-Methylphenyl)sulfonyl]-3-nitro-1H-1,2,4-triazole (CAS: 77451-51-5) is a complex organic compound with a triazole ring structure, featuring a nitro group and a sulfonyl group attached to a 4-methylphenyl group. It is characterized by its molecular formula C13H10N4O3S and is often used in research and pharmaceutical applications due to its unique chemical properties.

What are the main uses of 1-[(4-Methylphenyl)sulfonyl]-3-nitro-1H-1,2,4-triazole (CAS: 77451-51-5)?

1-[(4-Methylphenyl)sulfonyl]-3-nitro-1H-1,2,4-triazole (CAS: 77451-51-5) is primarily used in research for its unique chemical properties, such as its potential as a molecular scaffold for drug design and its role as a reagent in organic synthesis. It is also explored for its biological activities and could have future applications in pharmaceuticals.

Is 1-[(4-Methylphenyl)sulfonyl]-3-nitro-1H-1,2,4-triazole (CAS: 77451-51-5) safe?

1-[(4-Methylphenyl)sulfonyl]-3-nitro-1H-1,2,4-triazole (CAS: 77451-51-5) is generally safe when handled with proper precautions. However, it is important to follow safety guidelines, including wearing appropriate personal protective equipment (PPE) and handling it in a well-ventilated area. Exposure to this compound should be minimized, and it should be stored in a cool, dry place away from direct sunlight and heat sources.

How should 1-[(4-Methylphenyl)sulfonyl]-3-nitro-1H-1,2,4-triazole (CAS: 77451-51-5) be stored?

1-[(4-Methylphenyl)sulfonyl]-3-nitro-1H-1,2,4-triazole (CAS: 77451-51-5) should be stored in a tightly sealed container at room temperature, away from direct sunlight and heat sources. It should be kept in a dry environment to prevent moisture from affecting its properties. Additionally, it should be handled in a well-ventilated area to avoid inhalation and accidental contact with eyes or skin.