Triglycidyl Isocyanurate

Product Information

Molecular Formula:
C12H15N3O6
Molecular Weight:
297.27
Description
Applications: Triglycidyl isocyanurate is a reagent used in the synthesis of N-Benzyl Metaxalone (B285000), which is a muscle relaxant used to relax muscles and relieve pain.Dangerous Goods Info: Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package.
Synonyms
Isocyanuric Acid Tris(2,3-epoxypropyl) Ester||||Isocyanuric Acid Triglycidyl Ester||||Tris(2,3-epoxypropyl) Isocyanurate
IUPAC Name
1,3,5-tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
Canonical SMILES
C1C(O1)CN2C(=O)N(C(=O)N(C2=O)CC3CO3)CC4CO4
InChI
InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2
InChI Key
OUPZKGBUJRBPGC-UHFFFAOYSA-N
Boiling Point
> 240 °C, decomposition; 210 °C at 0.2 mm Hg
Melting Point
95-98°C
Flash Point
170 °C /Open cup vs. closed cup not specified
Purity
>98.0%(GC)(T)
Density
1,42 g/cm3
Solubility
less than 1 mg/mL at 68 °F
Appearance
White to Almost white powder to crystal
Application
Used in powder coatings containing less than 5% TGIC; Occupational asthma and allergic contact dermatitis reported in workers manufacturing thermosetting paints; Causes allergic contact dermatitis in screen-printing workers handling UV-cured inks.
Stability
Stable under recommended storage conditions.
LogP
log Kow = 1.21 (est)
Vapor Pressure
<0.007 Pa /5.25X10-5 mm Hg/ at 20 °C
Henry's Law Constant
<2.16X10-9 atm-cu m/mol at 25 °C (est)
Decomposition
Hazardous decomposition products formed under fire conditions - Carbon oxides, nitrogen oxides (NOx).
Odor
No odor at room temperature

Safety Information

Hazards
H301+H331:
Toxic if swallowed.
Toxic if inhaled.
H315:
Causes skin irritation.
H317:
May cause an allergic skin reaction.
H318:
Causes serious eye damage.
H334:
May cause allergy or asthma symptoms or breathing difficulties if inhaled.
H340:
May cause genetic defects.
H373:
May cause damage to organs through prolonged or repeated exposure.
H412:
Harmful to aquatic life with long-lasting effects.
Precautionary Statement
P201:
Obtain special instructions before use.
P260:
Do not breathe dust, fumes, gas, mist, vapours, spray.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310+P330:
IF SWALLOWED:
Immediately call a POISON CENTER or doctor/physician.
Rinse mouth.
P304+P340+P311:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician.
P305+P351+P338+P310:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/physician.
P308+P313:
If exposed or concerned:
Get medical advice/attention.
P403+P233:
Store in a well ventilated place.
Keep container tightly closed.

Computed Properties

XLogP3
-1.5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
6
Exact Mass
297.09608521 g/mol
Monoisotopic Mass
297.09608521 g/mol
Topological Polar Surface Area
98.5Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
416
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
3
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
EP-3842452-A1 Scaffold proteins and therapeutic nanoconjugates based on nidogen 2019-12-26
EP-3842469-A1 Material for forming organic film, method for forming organic film, patterning process, and compound 2019-12-26
US-2021189396-A1 Plant viral rna delivery nanoparticles and uses thereof 2019-12-20
WO-2021124668-A1 Adhesive composition 2019-12-20
WO-2021125132-A1 Carbamoyl oxime compound, and polymerization initiator and polymerizable composition containing said compound 2019-12-20
WO-2021127128-A1 Two part curable compositions 2019-12-20
WO-2021127273-A1 1 -((6-oxo-1,6-dihydropyridazin-4-yl)methyl)piperazine and 1 -((6-oxo-1,6-dihydropyrimidin-4-yl)methyl)piperazine derivatives as prolyl hydroxylase, hif-1 alpha and pgk modulators for use in treating inflammatory diseases, cancer or infections 2019-12-20
WO-2021127305-A1 Methods and compositions for inducing apoptosis in cancer stem cells 2019-12-20
US-2021189069-A1 Low nucleation temperature polythioether prepolymers and uses thereof 2019-12-19
WO-2021127284-A1 Low nucleation temperature polythioether prepolymers and uses thereof 2019-12-19

Literatures

PMID Publication Date Title Journal
29908167 2018-08-01 Teroxirone motivates apoptotic death in tumorspheres of human lung cancer cells Chemico-biological interactions
23954467 2013-11-15 Teroxirone inhibited growth of human non-small cell lung cancer cells by activating p53 Toxicology and applied pharmacology
21925666 2012-03-09 Weak anion exchange chromatographic profiling of glycoprotein isoforms on a polymer monolithic capillary Journal of chromatography. A
21875109 2011-10-18 Photoinduced self-structured surface pattern on a molecular azo glass film: structure-property relationship and wavelength correlation Langmuir : the ACS journal of surfaces and colloids
20717691 2011-06-01 Occupational asthma caused by triglycidyl isocyanurate International archives of occupational and environmental health
21041841 2011-01-01 Occupational asthma caused by heated triglycidyl isocyanurate Occupational medicine (Oxford, England)
18834112 2008-11-13 Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors Journal of medicinal chemistry
21279166 2008-03-01 A review on plant-derived natural products and their analogs with anti-tumor activity Indian journal of pharmacology
18187864 2008-01-01 A novel chip device based on wired capillary packed with high performance polymer-based monolith for HPLC: reproducibility in preparation processes to obtain long columns Analytical sciences : the international journal of the Japan Society for Analytical Chemistry
15355477 2004-10-01 Hypersensitivity pneumonitis caused by triglycidyl isocyanurate Allergy
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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