1,2,4-Triazine-3,5(2H,4H)-dione

Basic Information

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CAS Number

461-89-2

Molecular Formula

C3H3N3O2

Molecular Weight

113.08 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Physical State

Solid

Melting Point

274-275 °C

Boiling Point

211.75°C (rough estimate)

Water Solubility

Partly soluble in water, ethanol, DMSO, and 1 M NH4OH (50 mg/ml).

Flash Point

258.3ºC

Refractive Index

1.4264 (estimate)

SMILES

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C1=NNC(=O)NC1=O

InChI

InChI=1S/C3H3N3O2/c7-2-1-4-6-3(8)5-2/h1H,(H2,5,6,7,8)

InChIKey

SSPYSWLZOPCOLO-UHFFFAOYSA-N

LogP

-1.5418000000000005

Topological Polar Surface Area

78.61 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

162

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

DS-1403
STK644293
USAF CB-30
Azauracil
2h-[1,2,4]triazin-3,5-dione
3,5-Dioxo-[1,2,4]triazine
A0558
AKOS022061544
BP-20136
6-Azauracil
AI3-26412
6-Azauracil, >=98%
A-9700
CHEBI:53745
AKOS002364462
18802-37-4
6-aza-uracil
BS-3739
I14TWN70LR
Q27124185
AZU
STL185513
3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazine
UNII-I14TWN70LR
CCRIS 2710
AKOS002303248
17121-89-0
as-Triazine-3,4H)-dione
CHEMBL2260276
6-Aza-2,4-dihydroxypyrimidine
as-Triazine-3,5(2H,4H)-dione

MDL Number

MFCD00006456

Customs Code

29336980

FAQ

What are the physical and chemical properties of 1,2,4-Triazine-3,5(2H,4H)-dione (CAS: 461-89-2)?

1,2,4-Triazine-3,5(2H,4H)-dione, also known as 4,6-bis(oxo-1,2,4-triazin-3-yl)-s-triazine, is a white crystalline solid with a molecular weight of approximately 190.14 g/mol. It has a melting point of 228-230°C and is slightly soluble in water. Chemically, it is relatively stable but can undergo ring-opening reactions under basic conditions.

How is 1,2,4-Triazine-3,5(2H,4H)-dione (CAS: 461-89-2) typically synthesized?

1,2,4-Triazine-3,5(2H,4H)-dione is typically synthesized through the condensation of cyanuric chloride with amines. The reaction involves the use of a Lewis acid catalyst such as tin(II) chloride. The process yields high purity products with good selectivity and moderate to high yield, depending on the specific reaction conditions.

What industries use 1,2,4-Triazine-3,5(2H,4H)-dione (CAS: 461-89-2)?

1,2,4-Triazine-3,5(2H,4H)-dione is used in various industries, including pharmaceuticals for its antifungal properties, in polymer chemistry for cross-linking agents, and in the manufacturing of sensors and semiconductors for its stability and reactivity under certain conditions.

What precautions should be taken when handling 1,2,4-Triazine-3,5(2H,4H)-dione (CAS: 461-89-2)?

When handling 1,2,4-Triazine-3,5(2H,4H)-dione, it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. This compound should be stored in a cool, dry place away from direct sunlight. In case of spill, it should be handled with caution and disposed of according to the material safety data sheet (MSDS) guidelines. Always ensure the use of a fume hood and follow laboratory safety protocols.