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| CAS No.: | 15396-00-6 |
|---|---|
| Name: | 3-Isocyanatopropyltrimethoxysilane |
| Molecular Structure: | |
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| Formula: | C7H15NO4Si |
| Molecular Weight: | 205.286 |
| Synonyms: | Isocyanicacid, 3-(trimethoxysilyl)propyl ester (8CI);(3-Isocyanatopropyl)trimethoxysilane;Silane,(3-isocyanatopropyl)trimethoxy-;A-Link 35;Geniosil GF 40;KBK 9007;SII6456.0;Silquest A-Link 35;Silquest Y 5187;Y 5187;gamma-Isocyanopropyltrimethoxysilane;(gamma-Isocyanatopropyl)trimethoxysilane;1-Isocyanato-3-trimethoxysilylpropane;3-(Trimethoxysilyl)propyl isocyanate; |
| EINECS: | 239-415-9 |
| Density: | 1 g/cm3 |
| Melting Point: | <0 °C |
| Boiling Point: | 203.8 °C at 760 mmHg |
| Flash Point: | 77.1 °C |
| Solubility: | 1000g/L at 20℃ |
| Appearance: | Colorless clear liquid |
| Risk Codes: | 21/22-26-34-42 |
| Safety: | 23-26-36/37/39 |
| Transport Information: | UN 2977 |
| PSA: | 27.69000 |
| LogP: | 0.40460 |
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- 13822-56-5
3-(trimethoxysilyl)propan-1-amine
- 57-13-6
urea
- 15396-00-6
3-(trimethoxysilyl)propyl isocyanate
| Conditions | Yield |
|---|---|
| Stage #1: 3-(trimethoxysilyl)propan-1-amine; urea With Trimethyl orthoacetate In dimethyl sulfoxide at 90 - 95℃; for 9h; Stage #2: With sulfuric acid; copper(II) oxide In dimethyl sulfoxide at 75 - 80℃; for 4.5h; pH=6.5; Concentration; Temperature; pH-value; | 98.2% |
| Stage #1: 3-(trimethoxysilyl)propan-1-amine; urea In methanol at 180℃; under 8250.83 - 10501.1 Torr; for 12.5h; Stage #2: With tin(ll) chloride at 195℃; under 56.2556 Torr; | 92% |
- 23432-62-4
N-(3-trimethoxysilylpropyl) O-methyl carbamate
- 15396-00-6
3-(trimethoxysilyl)propyl isocyanate
| Conditions | Yield |
|---|---|
| With Methyltrichlorosilane; triethylamine In toluene at 40 - 100℃; for 1h; Inert atmosphere; | 96% |
| With tin(ll) chloride at 195℃; under 45.0045 Torr; | 89% |
| Stage #1: N-(3-trimethoxysilylpropyl) O-methyl carbamate; iron(III) oxide at 250℃; under 750.075 Torr; Gas phase; Microwave irradiation; Stage #2: Fe2O3-coated, straight-channeled cordierite at 440℃; under 750.075 Torr; Product distribution / selectivity; Gas phase; | 73% |
| Conditions | Yield |
|---|---|
| With platinum(0)-1,3-divinyl-1,1,3,3-tetramethyldisiloxane complex at 50 - 80℃; for 3h; | 95% |
| With di(rhodium)tetracarbonyl dichloride at 80℃; for 2.5h; Reagent/catalyst; Schlenk technique; | 68.8% |
- 26169-38-0
isocyanatopropyltrichlorosilane
- 149-73-5
trimethyl orthoformate
- 15396-00-6
3-(trimethoxysilyl)propyl isocyanate
| Conditions | Yield |
|---|---|
| at 85 - 95℃; for 7h; Industrial scale; | 84% |
| Conditions | Yield |
|---|---|
| Stage #1: urea; 3-Chloropropyltrimethoxysilan With ammonium chloride at 120℃; for 3h; Inert atmosphere; Stage #2: With cobalt(II) naphthenate at 160℃; for 3h; Reagent/catalyst; Temperature; Inert atmosphere; | 70% |
- 23432-62-4
N-(3-trimethoxysilylpropyl) O-methyl carbamate
A
- 15396-00-6
3-(trimethoxysilyl)propyl isocyanate
B
- 26115-70-8
tris-[3-(trimethoxysilyl)propyl]isocyanurate
| Conditions | Yield |
|---|---|
| at 210℃; under 100 - 300 Torr; for 1.65 - 5.65h; Product distribution / selectivity; |
- 75-44-5
phosgene
- 13822-56-5
3-(trimethoxysilyl)propan-1-amine
- 15396-00-6
3-(trimethoxysilyl)propyl isocyanate
| Conditions | Yield |
|---|---|
| With 2,2'-dimorpholinodiethyl ether In ethyl acetate at 0 - 10℃; |
- 598-55-0
methyl carbamate
- 2530-87-2
3-Chloropropyltrimethoxysilan
- 15396-00-6
3-(trimethoxysilyl)propyl isocyanate
| Conditions | Yield |
|---|---|
| at 60 - 120℃; for 5h; | 155 g |
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Specification
The 3-Isocyanatopropyltrimethoxysilane, with the CAS registry number 15396-00-6, is also known as Silane, (3-isocyanatopropyl)trimethoxy-. It belongs to the product category of Isocyanate Silanes. Its EINECS number is 239-415-9. This chemical's molecular formula is C7H15NO4Si and molecular weight is 205.28. What's more, its systematic name is (3-isocyanatopropyl)(trimethoxy)silane.
Physical properties of 3-Isocyanatopropyltrimethoxysilane are: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/BCF (pH 5.5): 5.48; (5)ACD/KOC (pH 5.5): 117.59; (6)#H bond acceptors: 5; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 7; (9)Polar Surface Area: 57.12 Å2; (10)Index of Refraction: 1.42; (11)Molar Refractivity: 51.46 cm3; (12)Molar Volume: 203.3 cm3; (13)Surface Tension: 25.9 dyne/cm; (14)Density: 1 g/cm3; (15)Flash Point: 77.1 °C; (16)Enthalpy of Vaporization: 44.01 kJ/mol; (17)Boiling Point: 203.8 °C at 760 mmHg; (18)Vapour Pressure: 0.272 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful in contact with skin and if swallowed. It is very toxic by inhalation. It can cause burns. It may cause sensitisation by inhalation. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C=N\CCC[Si](OC)(OC)O
(2)InChI: InChI=1S/C7H15NO4Si/c1-10-13(11-2,12-3)6-4-5-8-7-9/h4-6H2,1-3H3
(3)InChIKey: FMGBDYLOANULLW-UHFFFAOYSA-N