Cyanuric acid（CA） - for synthesis, ≥98% , CAS No.108-80-5

CAS: 108-80-5 Cat. No.: C431383 Formula: C₃H₃N₃O₃ Molecular Weight: 129.07 Beilstein Registry Number: 26239 EC Number: 203-618-0

GRADE & PURITY for Synthesis, ≥98%

Synonyms

Tricarbimide|WDL|Kyselina kyanurova(CZECH)|Triazine-2,4,6-triol|Cyanursaeure|s-2,4,6-Triazinetriol|Zyanursaure|s-Triazine-2,4,6-trione|2,4,6-Trihydroxy-1,3,5-triazine|2,4,6-Trihydroxy-S-triazine|Trihydroxycyanidine|1,3,5-triazinane-2,4,6-trione|5-Azabarbituric acid|cyanurate|s-Triazine-2,6-triol|s-Triazine-2,6(1H,3H,5H)-trione|iso cyanuric acid|Kyselina kyanurova|Trihydroxytriazine|1,3,5-Triazin-2,4,6-triol|sym-triazine-2,4,6-triol|Isozyanursaeure|2,6-Trihydroxy-1,3,5-triazine|s-2,6-Triazinetriol|Tricyanic acid|1,3,5-Triazine-2,4,6-triol|2,4,6-Trioxohexahydro-1,3,5-triazine|2,4,6-Trihydroxytriazine|Isocyanurate acid|Zyanursaeure|Triazine-2,4,6(1H,3H,5H)-trione|1,3,5-Triazine-2,4, 6(1H,3H,5H)-trione|CYANURIC ACID|s-Triazine-2,4,6(1H,3H,5H)-trione (8CI)|Cyanuric acid (VAN)|CYANURIC ACID [HSDB]|CYANURIC ACID [MI]|Pseudocyanuric acid|s-Cyanuric acid|Normal cyanuric acid|s-Triazinetrione|CP 4789|s-Triazine-2,4,6-triol|1,3,5-Triazine-2,4,6(1H,3H,5H)-trione|Cyanursaure|1,5-Triazine-2,4,6(1H,3H,5H)-trione|Isocyanuric acid|Triazinetrione|2,4,6-Triazinetrione|isocyanurate|s-Triazine-2,4,6(1H,3H,5H)-trione|1,3,5-Triazine-2,4,6-triol (ACD/Name 4.0)|sym-Triazinetriol|Trihydroxy-1,3,5-triazine

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

Tricarbimide | WDL | Kyselina kyanurova(CZECH) | Triazine-2,4,6-triol | Cyanursaeure | s-2,4,6-Triazinetriol | Zyanursaure | s-Triazine-2,4,6-trione | 2,4,6-Trihydroxy-1,3,5-triazine | 2,4,6-Trihydroxy-S-triazine | Trihydroxycyanidine | 1,3,5-triazinane-2,4,6-trione | 5-Azabarbituric acid | cyanurate | s-Triazine-2,6-triol | s-Triazine-2, Show more

Specifications & Purity

for synthesis, ≥98%

Storage

Room temperature,Argon charged

Shipped In

Normal

Grade

for Synthesis

Purity

≥98%

Product Line

C431383-5g

Names and Identifiers

Pubchem Sid

504751526

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751526

Canonical Smiles

C1(=O)NC(=O)NC(=O)N1

IUPAC Name

1,3,5-triazinane-2,4,6-trione

InChIKey

ZFSLODLOARCGLH-UHFFFAOYSA-N

INCHI

1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)

Isomeric SMILES

C1(=O)NC(=O)NC(=O)N1

WGK Germany

1

Molecular Weight

129.07

Beilstein

26239

Reaxy-Rn

126982

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=126982&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazines
      • Subclass 1,3,5-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazines
• Subclass: 1,3,5-triazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,5-triazines
• Alternative Parents: Heteroaromatic compounds Polyols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,3,5-triazine - Heteroaromatic compound - Azacycle - Polyol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,3,5-triazines. These are compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 3, and 5.
• External Descriptors: an aromatic compound

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

HL-60 (67320 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mycobacterium tuberculosis (203094 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: 2g/L
• Sensitivity: moisture sensitive
• x_melt_point_char: 360°C
• Molecular Weight: 129.070 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 129.017 Da
• Monoisotopic Mass: 129.017 Da
• Topological Polar Surface Area: 87.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 135.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does for synthesis mean?

for synthesis indicates that the material has been processed and tested for specialty industrial processing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 108-80-5, the molecular formula is C3H3N3O3, and the molecular weight is 129.07 g/mol. InChIKey ZFSLODLOARCGLH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.