3-Isocyanatopropyltriethoxysilane supplier

Name
3-Isocyanatopropyltriethoxysilane
EINECS 246-467-6
CAS No. 24801-88-5
Article Data7
CAS DataBase
Density 0.98 g/cm³
Solubility Hydrolyzes in water.
Melting Point <0oC
Formula C₁₀H₂₁NO₄Si
Boiling Point 263 °C at 760 mmHg
Molecular Weight 247.367
Flash Point 112.9 °C
Transport Information UN 3390 6.1/PG 1
Appearance colorless to yellow liquid
Safety 23-26-28-36/37/39-45
Risk Codes 21/22-26-34-42
Molecular Structure
Hazard Symbols T+
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;
PSA 57.12000
LogP 1.76070

Synthetic route

: 590-28-3
potassium cyanate

: 5089-70-3
(3-chloropropyl)triethoxysilane

: 24801-88-5
3-(triethoxypropyl) isocyanate

Conditions

Conditions	Yield
at 100℃; for 12h; Temperature; Inert atmosphere; Ionic liquid;	99.5%

: 998-30-1
Triethoxysilane

: 1476-23-9
allylisocyanate

: 24801-88-5
3-(triethoxypropyl) isocyanate

Conditions

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

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℃;

: 5089-70-3
(3-chloropropyl)triethoxysilane

: 57-13-6
urea

: 24801-88-5
3-(triethoxypropyl) isocyanate

Conditions

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

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

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

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

: (2S,4S)-1-benzyloxycarbonyl-2-tert-butylaminocarbonyl-4-(3-triethoxysilylpropylaminocarbonylamino)pyrrolidine

Conditions

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

: 4-[(triethoxysilyl)propylaminocarbonylamino]-1,8-bis(dimethylamino)naphthalene

Conditions

Conditions	Yield
In dichloromethane for 2h;	100%

: 1468-95-7
9-hydroxymethylanthracene

: 24801-88-5
3-(triethoxypropyl) isocyanate

: C25H33NO5Si

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide	100%
at 100℃; for 5h; Schlenk technique; Inert atmosphere;	57%
With triethylamine In tetrahydrofuran for 24h; Heating;

: 60835-71-4
4'-aminobenzo-15-crown-5-ether

: 24801-88-5
3-(triethoxypropyl) isocyanate

: 4-[3-(triethoxysilyl)propyl]ureidobenzo-15-crown-5

Conditions

Conditions	Yield
In chloroform at 20℃; for 48h;	100%
In acetonitrile for 5h; Heating;	90%

: 1016-58-6
6-nitroveratryl alcohol

: 24801-88-5
3-(triethoxypropyl) isocyanate

: 3-triethoxysilylpropyl-N-(4,5-dimethoxy-2-nitrobenzyloxycarbonyl)amine

Conditions

Conditions	Yield
With di-n-butyltin dilaulate In tetrahydrofuran Heating;	100%
With dibutyltin dilaurate In benzene at 70℃; for 2h;	78%
With dibutyltin dilaurate In tetrahydrofuran at 20℃; for 24h;	64%

: 24801-88-5
3-(triethoxypropyl) isocyanate

: 251912-40-0
3,5-bis(phenylthiomethyl)aniline

: C30H40N2O4S2Si

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 8h;	100%

: 24801-88-5
3-(triethoxypropyl) isocyanate

: 329191-57-3
(2S,4S)-Nα-Cbz-4-aminoproline benzyl ester

: (2S,4S)-1,2-dibenzyloxycarbonyl-4-(3-triethoxysilylpropylaminocarbonylamino)pyrrolidine

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 18h;	100%

: 3179-76-8
3-(diethoxy-methyl-silanyl)-propylamine

: 24801-88-5
3-(triethoxypropyl) isocyanate

: N-[3-(triethoxysilyl)propyl]-N'-[3-(diethoxysilylmethyl)propyl]urea

Conditions

Conditions	Yield
In ethanol for 2h;	100%
In acetone at 65℃; for 12h;

: 24801-88-5
3-(triethoxypropyl) isocyanate

: 142-84-7
di-n-propylamine

: N-di-n-propyl-N'-[3-(triethoxysilyl)propyl]urea

Conditions

Conditions	Yield
In hexane at 20℃; for 3h;	100%

: 22112-84-1
tetrakis(4-aminophenyl)porphyrin

: 24801-88-5
3-(triethoxypropyl) isocyanate

: 5,10,15,20-tetrakis[4-((3-triethoxysilyl)propylureido)phenyl]porphyrin

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran; acetonitrile	100%

: 24801-88-5
3-(triethoxypropyl) isocyanate

: 68941-06-0
4-aminobenzo-18-crown-6

: 4-[3-(triethoxysilyl)propyl]ureidobenzo-18-crown-6

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 48h;	100%
In toluene at 85℃; for 12h;	92%

: 24801-88-5
3-(triethoxypropyl) isocyanate

: 111-27-3
hexan-1-ol

: C16H35NO5Si

Conditions

Conditions	Yield
at 85℃; for 24h;	100%

: 5-(dibromomethylene)-3-(1-hydroxydodecyl)furan-2(5H)-one

: 24801-88-5
3-(triethoxypropyl) isocyanate

: 1-(5,5-dibromomethylene-3-dodecyl-2(5H)furanone)triethoxysilylpropylcarbamate

Conditions

Conditions	Yield
at 85℃; for 24h;	100%

: 123-30-8
4-amino-phenol

: 24801-88-5
3-(triethoxypropyl) isocyanate

: 1028843-30-2
1-(3-(triethoxysilyl)propyl)-3-(4-hydroxyphenyl)urea

Conditions

Conditions	Yield
In chloroform at 80℃; for 5h;	100%
In chloroform at 80℃; for 5h;	95%

: 1045860-38-5
8-methyl-11,12-dihydroindolo[2,3-a]carbazol-3-ol

: 24801-88-5
3-(triethoxypropyl) isocyanate

: 1157854-31-3
8-methyl-11,12-dihydroindolo[2,3-a]carbazol-3-yl 3-(triethoxysilyl)propylcarbamate

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran for 48h; Inert atmosphere; Reflux;	100%

: 56281-06-2
3,3,5,5,7,7,8,8,8-nonafluorooctanol

: 24801-88-5
3-(triethoxypropyl) isocyanate

: 1159854-12-2
3-(4,4,4-triethoxysilyl-propyl)-carbamic acid-3,3,5,5,6,6,7,7,8,8,8-undecafluoro-octyl ester

Conditions

Conditions	Yield
iron(III) chloride In 4-methyl-2-pentanone at 60 - 110℃; for 3h;	100%

: 1158091-31-6
2-(3,3,5,5,6,6,7,7,8,8,8-undecafluoro-octylsulfanyl)-ethyl-ammonium chloride

: 24801-88-5
3-(triethoxypropyl) isocyanate

: 1159854-02-0
C20H33F11N2O4SSi

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20 - 60℃; for 1h;	100%

: 1158091-30-5
2-(3,3,4,4-tetrafluoro-4-heptafluoropropyloxy-butylsulfanyl)-ethylamine

: 24801-88-5
3-(triethoxypropyl) isocyanate

: 1159854-03-1
1-[2-(3,3,4,4-tetrafluoro-4-heptafluoropropyloxy-butylsulfanyl)-ethyl]-3-(triethoxysilyl-propyl)-urea

Conditions

Conditions	Yield
at 65℃; for 1h;	100%

: 1159854-04-2
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octane-1-sulfonic acid (3-amino-propyl)-N-methyl-amide

: 24801-88-5
3-(triethoxypropyl) isocyanate

: 1159854-06-4
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octane-1-sulfonic acid-N-methyl-{3-[3-(triethoxysilyl-propyl)-ureido]-propyl}-amide

Conditions

Conditions	Yield
In tetrahydrofuran at 0 - 50℃; for 1h;	100%

: 1158091-20-3
3,3,5,5,6,6,7,7,8,8,8-undecafluoro-octane-1-thiol

: 24801-88-5
3-(triethoxypropyl) isocyanate

: 1159854-14-4
[3-(triethoxysilyl-propyl)-thiocarbamic acid S-(3,3,5,5,6,6,7,7,8,8,8-undecafluoro-octyl)ester]

Conditions

Conditions	Yield
dibutyltin(II) dilaurate at 70℃; for 12h;	100%

: 929200-08-8
(1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1H-1,2,3-triazol-4-yl)methanol

: 24801-88-5
3-(triethoxypropyl) isocyanate

: 1159854-09-7
[2-(triethoxysilyl)-propyl]-carbamic acid [1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-1H-[1,2,3]triazol-4-yl]-methyl ester

Conditions

Conditions	Yield
dibutyltin(II) dilaurate In tetrahydrofuran at 50℃; for 5h;	100%

: 1159854-10-0
1,1,2,2,5,5,6,6,9,9,10,10-dodecahydroperfluoro-1-dodecanol

: 24801-88-5
3-(triethoxypropyl) isocyanate

poly(α-fluoro-ω-2-hydroxyethyl terminated ethylene-co-tetrafluoroethylene ): poly(α-fluoro-ω-2-hydroxyethyl terminated ethylene-co-tetrafluoroethylene )

Conditions

Conditions	Yield
iron(III) chloride In 4-methyl-2-pentanone for 3h; Heating / reflux;	100%

: 24801-88-5
3-(triethoxypropyl) isocyanate

: 51-45-6
histamine

: 1-(2-(1H-imidazol-4-yl)ethyl)-3-(3-(triethoxysilyl)propyl)urea

Conditions

Conditions	Yield
In methanol at 40 - 60℃; for 13h; Kinetics; Temperature;	100%

: 24801-88-5
3-(triethoxypropyl) isocyanate

: 141-43-5
ethanolamine

: 1-(2-hydroxyethyl)-3-(3-(triethoxysilyl)propyl)urea

Conditions

Conditions	Yield
In chloroform at 20℃;	100%

: 1426827-73-7
C77H179N9S8Si7

: 24801-88-5
3-(triethoxypropyl) isocyanate

: C87H200N10O4S8Si8

Conditions

Conditions	Yield
In dichloromethane at 20℃; Inert atmosphere; Schlenk technique;	100%

: 870-24-6
2-chloroethanamine hydrochloride

: 24801-88-5
3-(triethoxypropyl) isocyanate

: 10387-40-3
potassium thioacetate

: C14H30N2O5SSi

Conditions

Conditions	Yield
Stage #1: 2-chloroethanamine hydrochloride; 3-(triethoxypropyl) isocyanate With sodium ethanolate In ethanol at -78 - -65℃; for 3h; Stage #2: potassium thioacetate In ethanol at 50℃; for 4h; Reflux;	100%

...Expand

: 89418-44-0
2,2'-dithiodi(1H-imidazole)

: 24801-88-5
3-(triethoxypropyl) isocyanate

: 2,2'-dithiobis{1-[3-(triethoxysilyl)propylcarbamoyl]-1H-imidazole}

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 20 - 40℃; for 6h;	100%

: 1155-37-9
bis-benzimidazole disulfide

: 24801-88-5
3-(triethoxypropyl) isocyanate

: 2,2'-dithiobis{1-[3-(triethoxysilyl)propylcarbamoyl]-1H-benzimidazole}

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 20 - 40℃; for 4h;	100%

3-Isocyanatopropyltriethoxysilane Consensus Reports

Reported in EPA TSCA Inventory.

3-Isocyanatopropyltriethoxysilane 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 ℃.

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,

Product Name

3-Isocyanatopropyltriethoxysilane

Synthetic route

3-Isocyanatopropyltriethoxysilane Consensus Reports

3-Isocyanatopropyltriethoxysilane Specification

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