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| CAS No.: | 24801-88-5 |
|---|---|
| Name: | 3-Isocyanatopropyltriethoxysilane |
| Molecular Structure: | |
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| Formula: | C10H21NO4Si |
| Molecular Weight: | 247.367 |
| Synonyms: | Isocyanicacid, 3-(triethoxysilyl)propyl ester (8CI);(3-Isocyanatopropyl)triethoxysilane;1-(Triethoxysilyl)-3-isocyanatopropane;3-(Triethoxysilyl)propyl isocyanate;A-Link 25;Dynasylan A 1310;KBE 9007;KBM 9007;NUC-A 1310;SilquestA 1310;Silquest A-Link 25;UCT7840KG;Y 9030;YH 9030; |
| EINECS: | 246-467-6 |
| Density: | 0.98 g/cm3 |
| Melting Point: | <0oC |
| Boiling Point: | 263 °C at 760 mmHg |
| Flash Point: | 112.9 °C |
| Solubility: | Hydrolyzes in water. |
| Appearance: | colorless to yellow liquid |
| Hazard Symbols: |
 T+
|
| Risk Codes: | 21/22-26-34-42 |
| Safety: | 23-26-28-36/37/39-45 |
| Transport Information: | UN 3390 6.1/PG 1 |
| PSA: | 57.12000 |
| LogP: | 1.76070 |
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potassium cyanate
- 5089-70-3
(3-chloropropyl)triethoxysilane
- 24801-88-5
3-(triethoxypropyl) isocyanate
| Conditions | Yield |
|---|---|
| at 100℃; for 12h; Temperature; Inert atmosphere; Ionic liquid; | 99.5% |
| Conditions | Yield |
|---|---|
| With platinum(0)-1,3-divinyl-1,1,3,3-tetramethyldisiloxane complex at 40 - 85℃; for 4.5h; | 95.7% |
- 17945-05-0
N-(3-triethoxysilylpropyl)-O-ethylcarbamate
- 24801-88-5
3-(triethoxypropyl) isocyanate
| Conditions | Yield |
|---|---|
| at 220℃; under 37.5038 Torr; | 92% |
| With di(n-butyl)tin oxide at 150℃; for 6h; Kinetics; Catalytic behavior; Reagent/catalyst; Temperature; | 60% |
| With dibutyltin dilaurate In ethanol at 200℃; |
| Conditions | Yield |
|---|---|
| Stage #1: (3-chloropropyl)triethoxysilane; urea With ammonium chloride at 130℃; for 3h; Inert atmosphere; Stage #2: With manganese octanoate at 200℃; for 2h; Reagent/catalyst; Temperature; Inert atmosphere; | 71% |
- 919-30-2
3-aminopropyltriethoxysilane
- 24801-88-5
3-(triethoxypropyl) isocyanate
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-aniline; toluene | |
| With pyridine In diethyl ether | |
| Multi-step reaction with 2 steps 1: sodium ethanolate / ethanol / 6 h / 80 °C / Inert atmosphere 2: dibutyltin dilaurate / ethanol / 200 °C View Scheme |
- 60261-46-3
(2S)-2-[(diphenylphosphino)methyl]pyrrolidine
- 24801-88-5
3-(triethoxypropyl) isocyanate
- 163809-05-0
(S)-1-(3-triethoxysilylpropyl)aminocarbonyl-2-diphenylphosphinomethylpyrrolidine
| Conditions | Yield |
|---|---|
| In dichloromethane for 8h; Ambient temperature; | 100% |
- 24801-88-5
3-(triethoxypropyl) isocyanate
- 128018-18-8
L-proline tert-butylamide
- 163809-03-8
(S)-1-(3-triethoxysilylpropyl)aminocarbonyl-2-t-butylaminocarbonylpyrrolidine
| Conditions | Yield |
|---|---|
| In dichloromethane Ambient temperature; | 100% |
- 24801-88-5
3-(triethoxypropyl) isocyanate
- 197911-06-1
(2S,4S)-4-amino-1-benzyloxycarbonyl-2-tert-butylaminocarbonylpyrrolidine
| Conditions | Yield |
|---|---|
| In dichloromethane at 20℃; for 18h; | 100% |
- 24801-88-5
3-(triethoxypropyl) isocyanate
- 199342-45-5
1-amino-4,5-bis(dimethylamino)naphthalene
| Conditions | Yield |
|---|---|
| In dichloromethane for 2h; | 100% |
| Conditions | Yield |
|---|---|
| With dicyclohexyl-carbodiimide | 100% |
| at 100℃; for 5h; Schlenk technique; Inert atmosphere; | 57% |
| With triethylamine In tetrahydrofuran for 24h; Heating; |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The 3-Isocyanatopropyltriethoxysilane, with its CAS registry number 24801-88-5, has the IUPAC name of triethoxy(3-isocyanatopropyl)silane. For being a kind of colorless clear liquid, it is sensitive to moisture, with the product categories including Adhesion Promoters; Coupling Agents; Isocyanate Silanes; Surface Modifiers.
The physical properties of this chemical are as below: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 89.15; (6)ACD/BCF (pH 7.4): 89.15; (7)ACD/KOC (pH 5.5): 866; (8)ACD/KOC (pH 7.4): 866; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 57.12; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 65.28 cm3; (15)Molar Volume: 251.6 cm3; (16)Polarizability: 25.88×10-24 cm3; (17)Surface Tension: 27.1 dyne/cm; (18)Density: 0.98 g/cm3; (19)Flash Point: 112.9 °C; (20)Enthalpy of Vaporization: 50.08 kJ/mol; (21)Boiling Point: 263 °C at 760 mmHg; (22)Vapour Pressure: 0.0106 mmHg at 25°C; (23)Exact Mass: 247.123985; (24)MonoIsotopic Mass: 247.123985; (25)Topological Polar Surface Area: 57.1; (26)Heavy Atom Count: 16; (27)Complexity: 202.
Use of this chemical: 3-Isocyanatopropyltriethoxysilane could react with 5-fluoro-1H-pyrimidine-2,4-dione to produce 1-(g-triethoxysilyl)propylcarbamoyl-5-fluorouracil. This reaction could happen in the presence of the solvent of dimethylformamide, and it needs the reaction time of 2 hours and the reaction temp. of 90 - 100 ℃.
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When you are dealing with this chemical, you should be very careful. For being a kind of very toxic chemical, it may at very low levels cause damage to health. This chemical will be very dangerous to our body if in contact with skin and if swallowed or by inhalation and it will cause burns and then may cause sensitisation by inhalation.
Therefore, you should take different measures to deal with different cases. The first important thing is to wear suitable protective clothing, gloves and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice, and if in case of accident or if you feel unwell seek medical advice immediately (show the label where possible). And wash immediately with plenty of ... (to be specified by the manufacturer) after contacting with skin. What's more, do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCO[Si](CCCN=C=O)(OCC)OCC
(2)InChI: InChI=1S/C10H21NO4Si/c1-4-13-16(14-5-2,15-6-3)9-7-8-11-10-12/h4-9H2,1-3H3
(3)InChIKey: FRGPKMWIYVTFIQ-UHFFFAOYSA-N
Below are the toxicity information of this chemical:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | 1260uL/kg (1.26mL/kg) | BEHAVIORAL: IRRITABILITY LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | National Technical Information Service. Vol. OTS0555451, |
| rat | LC50 | inhalation | 360mg/m3/4H (360mg/m3) | SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE LUNGS, THORAX, OR RESPIRATION: "FIBROSIS, FOCAL (PNEUMOCONIOSIS)" BLOOD: HEMORRHAGE | National Technical Information Service. Vol. OTS0555451, |
| rat | LD50 | oral | 707uL/kg (0.707mL/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: OTHER CHANGES | National Technical Information Service. Vol. OTS0555451, |