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CAS No.: | 26115-70-8 |
---|---|
Name: | TRIS(3-TRIMETHOXYSILYLPROPYL)ISOCYANURATE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C21H45N3O12Si3 |
Molecular Weight: | 615.858 |
Synonyms: | s-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tris[3-(trimethoxysilyl)propyl]- (8CI);1,3,5-Tris(trimethoxysilylpropyl)isocyanurate;1,3,5-Tris[3-(trimethoxysilyl)propyl]isocyanurate;NUC Silicone Y 11597;Silquest Y 11570;Silquest Y 11597;Tris[(trimethoxysilyl)propyl]isocyanurate;Tris[3-(trimethoxysilyl)propyl]isocyanurate;X 12-965;Y 11597;A-Link 597;Degussa 153; |
EINECS: | 247-465-8 |
Density: | 1.131 g/cm3 |
Melting Point: | <0°C |
Boiling Point: | 543.9 °C at 760 mmHg |
Flash Point: | 282.7 °C |
Solubility: | 14-1000000000μg/L at 20℃ |
Appearance: | colorless to dark yellow liquid |
Hazard Symbols: | T |
Risk Codes: | 23/25-36/38 |
Safety: | 26-45 |
Transport Information: | UN 2810 |
PSA: | 149.07000 |
LogP: | -0.02370 |
N-(3-trimethoxysilylpropyl) O-methyl carbamate
A
3-(trimethoxysilyl)propyl isocyanate
B
tris-[3-(trimethoxysilyl)propyl]isocyanurate
Conditions | Yield |
---|---|
at 210℃; under 100 - 300 Torr; for 1.65 - 5.65h; Product distribution / selectivity; |
3-(trimethoxysilyl)propan-1-amine
carbonic acid dimethyl ester
tris-[3-(trimethoxysilyl)propyl]isocyanurate
Conditions | Yield |
---|---|
Stage #1: 3-(trimethoxysilyl)propan-1-amine; carbonic acid dimethyl ester; sodium methylate at 50℃; for 2h; Stage #2: With formic acid at 135 - 210℃; under 10 - 760.051 Torr; for 2.16667h; Product distribution / selectivity; |
N-(3-trimethoxysilylpropyl) O-methyl carbamate
tris-[3-(trimethoxysilyl)propyl]isocyanurate
Conditions | Yield |
---|---|
With formic acid; sodium methylate In methanol at 130 - 214℃; under 10 - 760.051 Torr; for 0.5 - 1.75h; pH=5.6 - 10; Product distribution / selectivity; | |
sodium acetate In water at 200 - 210℃; under 75 - 300 Torr; for 2h; Product distribution / selectivity; | |
potassium acetate at 200℃; under 75 - 300 Torr; for 1h; Product distribution / selectivity; |
3-(trimethoxysilyl)propyl isocyanate
N-(3-trimethoxysilylpropyl) O-methyl carbamate
tris-[3-(trimethoxysilyl)propyl]isocyanurate
Conditions | Yield |
---|---|
With formic acid; sodium methylate at 210℃; under 90 - 210 Torr; for 1h; Product distribution / selectivity; |
trimethoxysilane
triallyl isocyanurate
D
tris-[3-(trimethoxysilyl)propyl]isocyanurate
Conditions | Yield |
---|---|
With platinum(0)-1,3-divinyl-1,1,3,3-tetramethyldisiloxane complex; acetic acid In toluene at 53 - 55℃; for 2.5h; Temperature; Reagent/catalyst; |
triethanolamine
tris-[3-(trimethoxysilyl)propyl]isocyanurate
Conditions | Yield |
---|---|
With potassium hydroxide In benzene for 2h; Heating; | 95% |
triisopropanolamine
tris-[3-(trimethoxysilyl)propyl]isocyanurate
Conditions | Yield |
---|---|
With potassium hydroxide In benzene for 2h; Heating; | 85% |
bis(2-hydroxyethyl)(2-hydroxybutyl)amine
tris-[3-(trimethoxysilyl)propyl]isocyanurate
Conditions | Yield |
---|---|
With potassium hydroxide In toluene for 5h; Heating; | 83.8% |
3-(trimethoxysilyl)-1-propanethiol
tris-[3-(trimethoxysilyl)propyl]isocyanurate
Conditions | Yield |
---|---|
With hydrogenchloride; water; dihydrogen peroxide at 40 - 100℃; for 26h; |
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This chemical is called 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(3-(trimethoxysilyl)propyl)-, and its CAS registry number is 26115-70-8. With the molecular formula of C21H45N3O12Si3, its product categories are Organosilicon; Self Assembly & Contact Printing; Self-Assembly Materials; Silanes Organometallic Reagents; Trialkoxysilanes. In addition, this chemical should be sealed in the cool and dry plcace.
Other characteristics of the 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(3-(trimethoxysilyl)propyl)- can be summarised as followings: (1)ACD/LogP: -1.58; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -1.58; (4)ACD/LogD (pH 7.4): -1.58; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.29; (8)ACD/KOC (pH 7.4): 3.29; (9)#H bond acceptors: 15; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 21; (12)Polar Surface Area: 144 Å2; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 150.35 cm3; (15)Molar Volume: 544.4 cm3; (16)Polarizability: 59.6×10-24cm3; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 1.131 g/cm3; (19)Flash Point: 282.7 °C; (20)Enthalpy of Vaporization: 82.24 kJ/mol; (21)Boiling Point: 543.9 °C at 760 mmHg; (22)Vapour Pressure: 6.87E-12 mmHg at 25°C.
Production method of this chemical: The 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(3-(trimethoxysilyl)propyl)- could be obtained by the reactants of 1,3,5-tris-(3-trimethoxysilanyl-propyl)-[1,3,5]triazinane-2,4,6-trione and N-(2-Hydroxy-butyl)-diethanolamin. This reaction needs the reagent of KOH, and the solvent of toluene. The yield is 83.8 %. In addition, this reaction should be taken for 5 hours. The other condition is heating.
When you are using this chemical, please be cautious about it as the following: This chemical is toxic by inhalation and if swallowed. It's irritating to eyes and skin. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1N(C(=O)N(C(=O)N1CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC
2.InChI: InChI=1/C21H45N3O12Si3/c1-28-37(29-2,30-3)16-10-13-22-19(25)23(14-11-17-38(31-4,32-5)33-6)21(27)24(20(22)26)15-12-18-39(34-7,35-8)36-9/h10-18H2,1-9H3
3.InChIKey: QWOVEJBDMKHZQK-UHFFFAOYAR
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD | skin | > 16mL/kg (16mL/kg) | GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | National Technical Information Service. Vol. OTS0541033, |
rat | LD50 | oral | 1460uL/kg (1.46mL/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION BLOOD: HEMORRHAGE | National Technical Information Service. Vol. OTS0541033, |