CAS No.150-46-9,Triethyl borate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	150-46-9
Name:	Triethyl borate
Article Data:	129

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

Synthetic route

: bis(3,5-dimethyl-4-methoxyphenyl)phosphane-borane(1:1)

: 64-17-5
ethanol

A: 150-46-9
triethyl borate

B: 122708-97-8
bis(4-methoxy-3,5-dimethylphenyl)-phosphine

Conditions

Conditions	Yield
Inert atmosphere; Reflux;	A n/a B 73%

...Expand

: 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

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%

...Expand

: 17702-41-9
nido-decaborane

: 109-95-5
ethyl nitrite

A: 58985-53-8
nido-NB9H12

B: 150-46-9
triethyl borate

Conditions

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

...Expand

: 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

Conditions	Yield
Inert atmosphere; Reflux;	A n/a B 52%

...Expand

: 11113-50-1
boric acid

: 150-46-9
triethyl borate

Conditions

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

: 121-43-7
Trimethyl borate

: 64-17-5
ethanol

: 150-46-9
triethyl borate

: 688-74-4
boric acid tributyl ester

: 64-17-5
ethanol

: 150-46-9
triethyl borate

Conditions

Conditions	Yield
With sulfuric acid

: 64-17-5
ethanol

: 23561-28-6
diethyl boronate

: 150-46-9
triethyl borate

: 64-17-5
ethanol

: 150-46-9
triethyl borate

Conditions

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

Conditions	Yield
With sodium
With zinc

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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%.

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.