1,3,5-Triglycidyl isocyanurate structure

3D Mol Similar

1,3,5-Triglycidyl isocyanurate

: Iupac Name：1,3,5-tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione; CAS No.: 2451-62-9; Molecular Weight：297.264; Modify Date.: 2022-11-09 13:03; Introduction:
1,3,5-Triglycidyl isocyanurate, with the chemical formula C12H15N3O12 and CAS registry number 2451-62-9, is a compound known for its applications in the field of polymer chemistry. This white crystalline solid, also referred to as TGIC, is characterized by its three glycidyl and three isocyanurate functional groups. It is commonly used as a crosslinking agent in epoxy resins, providing improved mechanical and thermal properties to the final product. 1,3,5-Triglycidyl isocyanurate is also utilized as a flame retardant and a curing agent in various coatings and adhesives. Its high reactivity and stability make it a valuable component in the production of composites, electrical laminates, and printed circuit boards. Furthermore, this compound exhibits low toxicity and environmental impact, making it a preferred choice in many industrial applications.
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1. Names and Identifiers

: 1.1 Name; 1,3,5-Triglycidyl isocyanurate; 1.2 Synonyms; (RS,RS,SR)-1,3,5-Tris(2,3-epoxypropyl)-s-triazine-2,4,6(1H,3H,5H)-trione 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(oxiranylmethyl)- 1,3,5-triglycidyl-s-triazinetrione 1,3,5-Tris(2-oxiranylmethyl)-1,3,5-triazinane-2,4,6-trione 1,3,5-Tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione 1,3,5-Tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione,TGIC,Triglycidyl isocyanurate 6(1h,3h,5h)-trione,1,3,5-tris(2,3-epoxypropyl)-s-triazine-4 6(1h,3h,5h)-trione,tris(2,3-epoxypropyl)-s-triazine-4 araldite pt-810 EINECS 219-514-3 glycidylisocyanurate HARDENER TGIC-P (TRIGLYCIDYL ISOCYANURATE MICROPOWDER GRADE) HARDENER TGIC-SP (MICROPOWDER WITH LOW CHLORINE CONTENT) Isocyanuric Acid Triglycidyl Ester Isocyanuric Acid Tris(2,3-epoxypropyl) Ester MFCD00080670 n,n’,n’’-triglycidylisocyanurate T6NVNVNVJ A1- BT3OTJ& C1- BT3OTJ& E1- BT3OTJ TEPIC Teroxirone TGIC TGIC,triglycidyl isocyanurate tgt TRIGLYCIDY ISOCYANURATE (TGIC) triglycidyl Triglycidyl Isocyanate Triglycidyl Isocyanurate Tris(2,3-epoxypropyl) Isocyanurate XB 2615; View all

1.3 CAS No.: 2451-62-9

1.4 CID: 17142

1.5 EINECS(EC#): 219-514-3

1.6 Molecular Formula: C12H15N3O6 (isomer)

1.7 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

1.8 InChIkey: OUPZKGBUJRBPGC-UHFFFAOYSA-N

1.9 Canonical Smiles: C1C(O1)CN2C(=O)N(C(=O)N(C2=O)CC3CO3)CC4CO4

1.10 Isomers Smiles: C1C(O1)CN2C(=O)N(C(=O)N(C2=O)CC3CO3)CC4CO4

2. Properties

2.1 Density: 1.625

2.1 Melting point: 95-98℃

2.1 Boiling point: 501.1°Cat760mmHg

2.1 Refractive index: 1.635

2.1 Flash Point: 170 C

2.1 Precise Quality: 297.09600

2.1 PSA: 103.59000

2.1 logP: -2.63190

2.1 Solubility: <0.1 g/100 mL at 20 ºC

2.2 Appearance: White crystalline powder

2.3 Autoignition Temperature: >200 °C (technical grade)

2.4 Chemical Properties: White powder or chunks

2.5 Color/Form: White powder or granule

2.6 Contact Allergens: Triglycidyl isocyanurate is a triazine epoxy compoundused as a resin hardener in polyester powder paints, inthe plastics industry, resin molding systems, inks, andadhesives. Occupational contact dermatitis can occur in people producing this chemical, in those producingthe powder coat paint, and in sprayers. Respiratorysymptoms have been observed. 1,3,5-Triglycidyl isocyanurate Preparation Products And Raw materials Raw materials

2.7 Decomposition: Hazardous decomposition products formed under fire conditions - Carbon oxides, nitrogen oxides (NOx).

2.8 Odor: No odor at room temperature

2.9 pKa: -2.44±0.20(Predicted)

2.10 Water Solubility: <0.1 g/100 mL at 20 oC

2.11 StorageTemp: Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.

2.12 Surface Tension: 65-66 mN/m at 20 °C

3. Use and Manufacturing

3.1 General Description: White crystalline solid.

3.2 Polymerization: Hazardous autopolymerization occurs following heating to >120 °C for more than 12 hours.

3.3 Usage: 1,3,5-triglycidyl isocyanurate be used for curing agent of polyester and acrylic resin carboxyl-containing powder coating, manufacturing an electrical insulating laminates, adhesives, plastics stabilizers.

4. Safety and Handling

4.1 Symbol: GHS05, GHS06, GHS08

4.1 Hazard Codes: T

4.1 Signal Word: Danger

4.1 Risk Statements: R23/25;R41;R43;R48/22;R52/53

4.1 Safety Statements: S45;S53;S61

4.1 Packing Group: III

4.1 Octanol/Water Partition Coefficient: log Kow = 1.21 /Estimated/

4.2 Fire Hazard: Flash point data for 1,3,5-Triglycidyl isocyanurate are not available; however, 1,3,5-Triglycidyl isocyanurate is probably combustible.

4.3 Other Preventative Measures: SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

4.4 Hazard Class: 6.1(b)

4.4 Hazard Declaration: H301 + H331-H317-H318-H340-H373-H412

4.4 DisposalMethods: SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

4.5 RIDADR: 25kgs

4.5 Caution Statement: P201-P261-P273-P280-P301 + P310-P305 + P351 + P338

4.5 Formulations/Preparations: TGIC is manufactured and supplied as technical grades, containing >90% TGIC.
...Manufactured and supplied as the technical grades TEPIC and Araldite PT810. Technical-grade triglycidyl isocyanurate is a mixture of two diastereomers, alpha and beta.

4.6 WGK Germany: 3

4.6 RTECS: XZ1994900

4.6 Protective Equipment and Clothing: Triglycidyl isocyanurate is a skin sensitizer ...it may also cause serious eye damage.

4.7 Reactivities and Incompatibilities: Triglycidyl isocyanurate reacts rapidly with primary and secondary amines, carboxylic acids and anhydrides, thiols, phenols, and alcohols.

4.8 Skin, Eye, and Respiratory Irritations: Triglycidyl isocyanurate is a skin sensitizer ...it may also cause serious eye damage.

4.9 Safety: Hazard Codes:T
Risk Statements:46-23/25-41-43-48/22-52/53
46:May cause heritable genetic damage
23/25:Toxic by inhalation and if swallowed
41:Risk of serious damage to eyes
43:May cause sensitization by skin contact
48/22:Harmful: danger of serious damage to health by prolonged exposure if swallowed
52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements:53-45-61
53:Avoid exposure - obtain special instruction before use
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
61:Avoid release to the environment. Refer to special instructions safety data sheet
RIDADR:UN 2811 6.1/PG 3
WGK Germany:3
HazardClass:6.1(b)
PackingGroup:III; View all

4.10 Specification

The triglycidyl isocyanurate , with the register number 2451-62-9, has other names as 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tris(oxiranylmethyl)-;1,3,5-triglycidylisocyanuricacid;1,3,5-triglycidyl-s-triazinetrione;1,3,5-truglycidyl-s-triazinetrione;3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tris(oxiranylmethyl)-1;5-triazine-2,4,6(1h,3h,5h)-trione,1,3,5-tris(oxiranemethyl)-3;5-triazine-2,4,6(1h,3h,5h)-trione,1,3,5-tris(oxiranylmethyl)-3;6(1h,3h,5h)-trione,1,3,5-tris(2,3-epoxypropyl)-s-triazine-4 .

The physical properties of this kind of chemical are as following: (1)#H bond acceptors:? 9 ; (2)#Freely Rotating Bonds:? 6? ; (3)Polar Surface Area:? 98.52?? ; (4)Index of Refraction:? 1.635? ; (5)Molar Refractivity:? 65.48 cm³? ; (6)Molar Volume:? 182.8 cm^3? ; (7)Polarizability:? 25.96 ×10^-24cm³? ; (8)Surface Tension:? 77.2 dyne/cm? ; (9)Density:? 1.625 g/cm³? ; (10)Flash Point:? 256.9 °C? ; (11)Enthalpy of Vaporization:? 76.99 kJ/mol? ; (12)Boiling Point:? 501.1 °C at 760 mmHg? ; (13)Vapour Pressure:? 3.56E-10 mmHg at 25°C.

It is a kind of white crystalline and its water dissolubility information is <0.1 g/100 mL at 20 oC. As for its usage, it is widely usde in many fields, such as being the curing agent of the polyester powder and also could be used in making Electrical insulating materials, printed circuit, adhesive and stabilizer for plastics. What's more, its product categories are including oxiranes;simple 3-Membered ring compounds.

Being a kind of toxic chemical, it may cause many damages in many ways: At low levels, it cause damage to health; It may cause heritable genetic damage; Toxic by inhalation and if swallowed; Risk of serious damage to eyes; May cause sensitisation by skin contact; Danger of serious damage to health by prolonged exposure. Besides, it is very harmful to aquatic organisms, may cause long-term adverse. effects in the aquatic environment.

As for so many impossible damages, you should be very cautious while dealing with this kind of chemical: Avoid exposure - obtain special instructions before use and in case of accident or if you feel unwell seek medical advice immediately (show the label where possible). Besides, avoid release to the environment. Refer to special instructions/safety data sheet. You could also get more safety information of WGK Germany? 3.

In addition, you could refer to the following data information to get the molecular structure:
SMILES:O=C1N(C(=O)N(C(=O)N1CC2OC2)CC3OC3)CC4OC4
InChI:InChI=1/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?
InChIKey:OUPZKGBUJRBPGC-UHFFFAOYAU

Below are the toxicity information of this kind of chemcial:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	188mg/kg (188mg/kg)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" SKIN AND APPENDAGES (SKIN): HAIR: OTHER	National Technical Information Service. Vol. OTS0555027,

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4.11 Toxicity: LD50 oral in rat: 188mg/kg

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Serious eye damage, Category 1

Skin sensitization, Category 1

Acute toxicity - Inhalation, Category 3

Germ cell mutagenicity, Category 1B

Specific target organ toxicity \u2013 repeated exposure, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H301 Toxic if swallowed H318 Causes serious eye damage H317 May cause an allergic skin reaction H331 Toxic if inhaled H340 May cause genetic defects H412 Harmful to aquatic life with long lasting effects
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace. P271 Use only outdoors or in a well-ventilated area. P201 Obtain special instructions before use. P202 Do not handle until all safety precautions have been read and understood. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P273 Avoid release to the environment.
Response	P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). P330 Rinse mouth. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P310 Immediately call a POISON CENTER/doctor/\u2026 P302+P352 IF ON SKIN: Wash with plenty of water/... P333+P313 If skin irritation or rash occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P311 Call a POISON CENTER/doctor/\u2026 P308+P313 IF exposed or concerned: Get medical advice/ attention. P314 Get medical advice/attention if you feel unwell.
Storage	P405 Store locked up. P403+P233 Store in a well-ventilated place. Keep container tightly closed.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. NMR Spectrum

7. Computational chemical data

Molecular Weight: 297.264g/mol
Molecular Formula: C₁₂H₁₅N₃O₆
Compound Is Canonicalized: True
XLogP3-AA: -1.5
Exact Mass: 297.09608521
Monoisotopic Mass: 297.09608521
Complexity: 416
Rotatable Bond Count: 6
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 6
Topological Polar Surface Area: 98.5
Heavy Atom Count: 21
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 3
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBzOAAAAAAAAAAAAAAAEiQAAAAAAAAsAAAAAAAAAAAAAAAAHgAAAAAACBThgAYBAAMABAAIAAAAEAAAAAAAAAAAAAAIAACCAAAAAAAFAAAKByIQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

8. Question & Answer

What is Triglycidyl Isocyanurate and How is it Used? Sep 11 2021
Basic Information English Name: Triglycidyl isocyanurate Molecular Formula: C12H15N3O6 Molecular Weight: 297.264 CA Registry Number: 2451-62-9 Physical Properties: Triglycidyl isocyanurate is a white ..
What are the Industrial Applications of 1,3,5-Triglycidyl Isocyanurate (TGIC)? Feb 28 2020
Industrial Applications 1,3,5-Triglycidyl isocyanurate (TGIC) is a versatile substance used in various industrial applications. It is commonly sold under the trade names ARALDITE PT810R or TEPIC G R. ..

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