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| CAS No.: | 150-46-9 |
|---|---|
| Name: | Triethyl borate |
| Molecular Structure: | |
|
|
|
| Formula: | C6H15BO3 |
| Molecular Weight: | 145.994 |
| Synonyms: | Ethylborate ((EtO)3B) (6CI);Boron ethoxide;Boron ethoxide (B(OEt)3);Borontriethoxide;NSC 2055;Triethoxyborane;Triethoxyboron; |
| EINECS: | 205-760-9 |
| Density: | 0.865 g/cm3 |
| Melting Point: | -84.5 °C |
| Boiling Point: | 120 °C at 760 mmHg |
| Flash Point: | 11.1 °C |
| Solubility: | decomposes in water |
| Appearance: | clear colourless liquid |
| Hazard Symbols: |
 F
|
| Risk Codes: | 11 |
| Safety: | 7-16-23-9-33 |
| Transport Information: | UN 1176 3/PG 2 |
| PSA: | 27.69000 |
| LogP: | 1.08080 |
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| Conditions | Yield |
|---|---|
| Inert atmosphere; Reflux; | A n/a B 73% |
- 1825-62-3
ethyl trimethylsilyl ether
- 369-57-3
benzenediazonium tetrafluoroborate
A
- 150-46-9
triethyl borate
B
- 420-56-4
trimethylsilyl fluoride
C
- 103-73-1
Phenetole
| Conditions | Yield |
|---|---|
| In 1,1,2-Trichloro-1,2,2-trifluoroethane 1.) 0 to 55 deg C very slowly, 2.) sonication, reflux, 16-17 h; | A 63% B n/a C 54% |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran byproducts: H2, NO, NO2; addn. of ethylnitrite soln. to borane soln., -78°C; heating to room temp.; stirring, 3h; evapn.; extn. (hexane); evapn.; sublimation, 25°C, 0.001 Torr; | A 52% B n/a |
- 64-17-5
ethanol
- 1186392-99-3
(2-biphenyl)dicyclohexylphosphane-borane(1:1)
A
- 150-46-9
triethyl borate
B
- 247940-06-3
CyJohnPhos
| Conditions | Yield |
|---|---|
| Inert atmosphere; Reflux; | A n/a B 52% |
- 11113-50-1
boric acid
- 150-46-9
triethyl borate
| Conditions | Yield |
|---|---|
| With ethanol In benzene a mixt. of ethanol, benzene, orthoboric acid, and anhydrous CuSO4 is boiled on a Dean-Stark apparatus with driving off water (40-50 h);; repeated fractional distn.;; | 35% |
| With ethanol | |
| With ethanol In ethanol at room temp.; | |
| With ethanol In ethanol at room temp.; | |
| With C2H5OH |
| Conditions | Yield |
|---|---|
| With sulfuric acid |
| Conditions | Yield |
|---|---|
| With boron trichloride | |
| With sodium borate; acetic acid | |
| With boron trichloride at -60℃; im Hochvakuum; |
- 20905-32-2
bis(ethoxy)chloroborane
- 150-46-9
triethyl borate
| Conditions | Yield |
|---|---|
| With sodium | |
| With zinc |
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- Total:20 Page 1 of 1 1
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Specification
The IUPAC name of this chemical is triethyl borate. With the CAS registry number 150-46-9, it is also named as Boric acid, triethyl ester. The product's categories are Organometallics; B (Classes of Boron Compounds); Boric Acid Esters; Boric Acid Triesters. It is clear colourless liquid which reacts easily with water. Additionally, this chemical should be sealed in the container and stored in the cool and dry place at the temperature of 0-6 °C.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.04; (4)ACD/LogD (pH 7.4): 3.04; (5)ACD/BCF (pH 5.5): 121.31; (6)ACD/BCF (pH 7.4): 121.31; (7)ACD/KOC (pH 5.5): 1079.6; (8)ACD/KOC (pH 7.4): 1079.6; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.374; (13)Molar Refractivity: 38.51 cm3; (14)Molar Volume: 168.6 cm3; (15)Surface Tension: 22.3 dyne/cm; (16)Enthalpy of Vaporization: 34.33 kJ/mol; (17)Vapour Pressure: 18.6 mmHg at 25°C; (18)Rotatable Bond Count: 6; (19)Exact Mass: 146.111425; (20)MonoIsotopic Mass: 146.111425; (21)Topological Polar Surface Area: 27.7; (22)Heavy Atom Count: 10; (23)Complexity: 55.7.
Preparation of Triethyl borate: It can be obtained by dissolving boric acid in ethanol. The equilibrium reaction is as following:
B(OH)3 + 3 C2H5OH (C2H5O)3B + 3 H2O
Uses of Triethyl borate: It is used as a solvent and/or catalyst in preparation of synthetic waxes, resins, paints, and varnishes. It is also used as a component of some flame retardants in textile industry and of some welding fluxes.In addition, it can react with 1-bromomethyl-3-methyl-benzene and carbon monoxide to get m-tolyl-acetic acid ethyl ester. This reaction needs catalytic agent 1,5-hexadieneρdium chloride at temperature of 75 °C and the pressure of 760.0002. The yield is 100%.
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When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so people should keep it away from sources of ignition. When use it, people must not breathe vapour. And take precautionary measures against static discharges.
People can use the following data to convert to the molecule structure.
1. SMILES:O(B(OCC)OCC)CC
2. InChI:InChI=1/C6H15BO3/c1-4-8-7(9-5-2)10-6-3/h4-6H2,1-3H3
3. InChIKey:AJSTXXYNEIHPMD-UHFFFAOYAB
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 2100mg/kg (2100mg/kg) | "Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New York, John Wiley & Sons, Inc., 1964Vol. -, Pg. 693, 1964. |