3-Isocyanatopropyltrimethoxysilane supplier

Name
3-Isocyanatopropyltrimethoxysilane
EINECS 239-415-9
CAS No. 15396-00-6
Article Data25
CAS DataBase
Density 1 g/cm³
Solubility 1000g/L at 20℃
Melting Point <0 °C
Formula C₇H₁₅NO₄Si
Boiling Point 203.8 °C at 760 mmHg
Molecular Weight 205.286
Flash Point 77.1 °C
Transport Information UN 2977
Appearance Colorless clear liquid
Safety 23-26-36/37/39
Risk Codes 21/22-26-34-42
Molecular Structure
Hazard Symbols
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;
PSA 27.69000
LogP 0.40460

Synthetic route

: 13822-56-5
3-(trimethoxysilyl)propan-1-amine

: 57-13-6
urea

: 15396-00-6
3-(trimethoxysilyl)propyl isocyanate

Conditions

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

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%

: 2487-90-3
trimethoxysilane

: 1476-23-9
allylisocyanate

: 15396-00-6
3-(trimethoxysilyl)propyl isocyanate

Conditions

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

Conditions	Yield
at 85 - 95℃; for 7h; Industrial scale;	84%

: 57-13-6
urea

: 2530-87-2
3-Chloropropyltrimethoxysilan

: 15396-00-6
3-(trimethoxysilyl)propyl isocyanate

Conditions

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

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

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

Conditions	Yield
at 60 - 120℃; for 5h;	155 g

3-Isocyanatopropyltrimethoxysilane 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

Product Name

3-Isocyanatopropyltrimethoxysilane

Synthetic route

3-Isocyanatopropyltrimethoxysilane Specification

Related Products

Hot Products