Tris(2-acryloyloxyethyl) Isocyanurate (stabilized with Phenothiazine) - ≥80% , CAS No.40220-08-4

CAS: 40220-08-4 Cat. No.: F573404 Molecular Weight: 423.38 EC Number: 254-843-6

GRADE & PURITY ≥80%

Synonyms

tris(2-hydroxyethyl) isocyanurate triacrylate | ISOCYANURICACIDTRIS(2-ACRYLOYLOXYETHYL)ESTER | Tris(2-acryloyloxyethyl) Isocyanurate, >/=80%,stabilized with Phenothiazine | Tris(2-acryloyloxyethyl) Isocyanurate | CAS-40220-08-4 | 2-{2,4,6-TRIOXO-3,5-BIS[2

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

tris(2-hydroxyethyl) isocyanurate triacrylate | ISOCYANURICACIDTRIS(2-ACRYLOYLOXYETHYL)ESTER | Tris(2-acryloyloxyethyl) Isocyanurate, >/=80%, stabilized with Phenothiazine | Tris(2-acryloyloxyethyl) Isocyanurate | CAS-40220-08-4 | 2-{2, 4, 6-TRIOXO-3, 5-BIS[2

Specifications & Purity

≥80%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥80%

Names and Identifiers

• Pubchem Sid: 504757648
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757648
• Canonical Smiles: C=CC(=O)OCCN1C(=O)N(C(=O)N(C1=O)CCOC(=O)C=C)CCOC(=O)C=C
• IUPAC Name: 2-[2,4,6-trioxo-3,5-bis(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate
• InChIKey: YIJYFLXQHDOQGW-UHFFFAOYSA-N
• INCHI: 1S/C18H21N3O9/c1-4-13(22)28-10-7-19-16(25)20(8-11-29-14(23)5-2)18(27)21(17(19)26)9-12-30-15(24)6-3/h4-6H,1-3,7-12H2
• Isomeric SMILES: C=CC(=O)OCCN1C(=O)N(C(=O)N(C1=O)CCOC(=O)C=C)CCOC(=O)C=C
• Molecular Weight: 423.38
• Reaxy-Rn: 7233994
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7233994&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Tricarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: Triazinones Acrylic acid esters 1,3,5-triazines Heteroaromatic compounds Enoate esters Ureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Tricarboxylic acid or derivatives - Triazinone - Triazine - Acrylic acid ester - 1,3,5-triazine - Acrylic acid or derivatives - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Urea - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
• External Descriptors: Not available

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

Chemical and Physical Properties

• Solubility: Soluble in methanol
• Sensitivity: Light sensitive
• Melt Point(°C): 53 °C
• Molecular Weight: 423.400 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 15
• Exact Mass: 423.128 Da
• Monoisotopic Mass: 423.128 Da
• Topological Polar Surface Area: 140.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 638.000
• 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

References

1. Zhang Pingping, Yang Gaoling, Li Fei, Shi Jianbing, Zhong Haizheng.  (2022)  Direct in situ photolithography of perovskite quantum dots based on photocatalysis of lead bromide complexes.  Nature Communications,  13  (1): (1-10).  [PMID:36344550] [10.1038/s41467-022-34453-9]

2. Fang Fu, Jianfei Lin, Shiyuan Zhang, Ying Liu, Tianzong Ma, Ruonan Jing, Liqun Sun, Haiming Xie.  (2025)  Molecular-level polymer design and interface engineering enable 4.5 V high-voltage Li metal batteries.  Energy Storage Materials,      [PMID:] [10.1016/j.ensm.2025.104327]