CAS No.14044-65-6,Borane-tetrahydrofuran complex Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	14044-65-6
Name:	Borane-tetrahydrofuran complex
Article Data:	12

Formula:	C₄H₁₁BO
Molecular Weight:	85.9417
Synonyms:	Borane tetrahydrofuran;Tetrahydrofuran borane;Borane - tetrahydrofuran (1:1);Borane, compd. with tetrahydrofuran (1:1);Borane-THF complex;Borane-tetrahydrofurane(BTHF)complex;Borane-tetrahydrofuran complex;
EINECS:	237-881-8
Density:	0.898 g/mL at 25 °C
Melting Point:	-17 °C
Boiling Point:	68.3 °C at 760 mmHg
Flash Point:	-17 °C
Solubility:	Soluble in THF and react with water
Appearance:	colourless liquid
Hazard Symbols:	F,Xn
Risk Codes:	14/15-19-22-36/37/38-41-11-67-66
Safety:	16-33-36/37/39-7/9-7/8-43-26-29
Transport Information:	UN 3399 4.3/PG 1
PSA:	9.23000
LogP:	-0.38710

Synthetic route

: 109-99-9
tetrahydrofuran

: 14044-65-6
borane-THF

Conditions

Conditions	Yield
With dimethylsulfide borane complex for 0.5h; Heating / reflux;

: lithium borohydride

: 75-75-2
methanesulfonic acid

: 14044-65-6
borane-THF

Conditions

Conditions	Yield
With tetrahydrofuran In tetrahydrofuran byproducts: LiO3SMe, H2; N2-atmosphere, 25°C, 0.25 h, stirring; not isolated, reaction followed by (11)B-NMR spectroscopy and H2-volumetry;

: lithium borohydride

: 7446-70-0
aluminium trichloride

A: 14044-65-6
borane-THF

B: hydridoaluminium bis(tetrahydroborate)

Conditions

Conditions	Yield
With tetrahydrofuran In tetrahydrofuran molar ratio B:Al=1:1 to 7.2:1; not isolated, detd. by (11)B-NMR spectroscopy;

...Expand

: lithium borohydride

: 7727-15-3
aluminium bromide

A: 14044-65-6
borane-THF

B: hydridoaluminium bis(tetrahydroborate)

Conditions

Conditions	Yield
With tetrahydrofuran In tetrahydrofuran molar ratio B:Al=2.8:1 to 1:2; not isolated, detd. by (11)B-NMR spectroscopy;

...Expand

: lithium borohydride

: 14044-65-6
borane-THF

Conditions

Conditions	Yield
With tetrahydrofuran; aluminium trichloride In tetrahydrofuran addn. of AlCl3 to LiBH4 (molar ratio B:Al=1.2:1 to 1.7:1); not isolated, detd. by (11)B-NMR spectroscopy;
With tetrahydrofuran; aluminum tri-bromide; aluminium trichloride In tetrahydrofuran addn. of LiBH4 to AlBr3 (molar ratio B:Al=4:1), 1 h; not isolated, detd. by (11)B-NMR spectroscopy;
With tetrahydrofuran; aluminum tri-bromide In tetrahydrofuran molar ratio B:Al=1:1 to 7.4:1; not isolated, detd. by (11)B-NMR spectroscopy;

: lithium borohydride

: 18306-29-1
bis(trimethylsilyl)sulphate

: 14044-65-6
borane-THF

Conditions

Conditions	Yield
With tetrahydrofuran In tetrahydrofuran byproducts: Li2SO4; N2-atmosphere, 25°C, 0.25 h, stirring; not isolated, reaction followed by (11)B-NMR spectroscopy;

: lithium borohydride

: 10090-05-8
trimethylsilyl methanesulfonate

: 14044-65-6
borane-THF

Conditions

Conditions	Yield
With tetrahydrofuran In tetrahydrofuran byproducts: LiO3SMe, HSiMe3; N2-atmosphere, 25°C, 0.25 h, stirring; not isolated, reaction followed by (11)B-NMR spectroscopy;

: triborane(7)*tetrahydrofuran

: 1898-77-7
trimethylphosphine-borane

A: 14044-65-6
borane-THF

B: 19624-22-7
pentaborane(9)

C: 97012-38-9
trimethylphosphine-triborane adduct

D: 19287-45-7
diborane

Conditions

Conditions	Yield
In tetrahydrofuran soln. of educts in THF allowed to stand at room temp. for 8 months; NMR anal.;

...Expand

: 18283-93-7
tetraborane

: 594-09-2
trimethylphosphane

A: 14044-65-6
borane-THF

B: octahydrotriborate(1-)

C: 97012-38-9
trimethylphosphine-triborane adduct

D: triborane(7)*tetrahydrofuran

E: 1898-77-7
trimethylphosphine-borane

Conditions

Conditions	Yield
With tetrahydrofuran In tetrahydrofuran; dichloromethane B4H10 dissolved in THF at -80°C, kept at 0°C for 4 h, treated with PMe3 in CH2Cl2 at 25°C; NMR anal.;

...Expand

: 18283-93-7
tetraborane

: 594-09-2
trimethylphosphane

A: 14044-65-6
borane-THF

B: triborane(7)*tetrahydrofuran

C: H2B[P(CH3)3]2(1+)*B3H8(1-)=H2B[P(CH3)3]2B3H8

D: 1898-77-7
trimethylphosphine-borane

Conditions

Conditions	Yield
With tetrahydrofuran In tetrahydrofuran B4H10 dissolved in THF at -80°C, kept at -63°C for 3 h, treated with PMe3, kept at -10 to 25°C; NMR anal.;

...Expand

Raw Materials

109-99-9

Downstream Products

97-94-9

Total:122 Page 1 of 4 1 2 3 4 Next>>

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Specification

The Borane-tetrahydrofuran complex, with the CAS registry number 14044-65-6, is also known as (Tetrahydrofuran)borane. It belongs to the product categories of B (Classes of Boron Compounds); Boranes; Reduction; Synthetic Organic Chemistry; Synthetic Reagents; Organoboron and borato-metal complexes. Its EINECS number is 237-881-8. This chemical's molecular formula is C₄H₁₁BO and molecular weight is 85.94. What's more, its systematic name is borane - tetrahydrofuran (1:1). It is stable at common pressure and temperature, and it should be sealed and stored in containers with dry inert gas which are placed in a cool, ventilated and dry place. Moreover, it should be protected from oxides, water, acids, alcohol and moisture.

Physical properties of Borane-tetrahydrofuran complex are: (1)ACD/LogP: 0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): 0.33; (5)ACD/BCF (pH 5.5): 1.04; (6)ACD/BCF (pH 7.4): 1.04; (7)ACD/KOC (pH 5.5): 35.88; (8)ACD/KOC (pH 7.4): 35.88; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 9.23 Å²; (13)Enthalpy of Vaporization: 29.81 kJ/mol; (14)Boiling Point: 68.3 °C at 760 mmHg; (15)Vapour Pressure: 152 mmHg at 25°C.

When you are using Borane-tetrahydrofuran complex, please be cautious about it as the following:
This chemical is highly flammable, so you should keep it away from sources of ignition - No smoking. It will react violently with water and liberate extremely flammable gases. What's more, it may form explosive peroxides. If repeated exposure, it may cause skin dryness or cracking. Its vapours may cause drowsiness and dizziness. You should keep the container tightly closed and in a dry and well-ventilated place. You must not empty it into drains. Moreover, you should take precautionary measures against static discharges. It is harmful if swallowed and has a risk of serious damage to eyes. It is irritating to eyes, respiratory system and skin. In case of contact 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: O1CCCC1.B
(2)Std. InChI: InChI=1S/C4H8O.BH3/c1-2-4-5-3-1;/h1-4H2;1H3
(3)Std. InChIKey: RMCYTHFAWCWRFA-UHFFFAOYSA-N