CAS No.813-19-4,HEXABUTYLDITIN Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	813-19-4
Name:	HEXABUTYLDITIN
Article Data:	120

Formula:	C₂₄H₅₄Sn₂
Molecular Weight:	580.113
Synonyms:	Hexabutylditin;NSC 227367;NSC 65520;NSC 92633;Distannane,hexabutyl- (8CI,9CI);Tin, hexabutyldi- (6CI,7CI);1,1,1,2,2,2-Hexabutyldistannane;Bis(tributyltin);Hexa-n-butyldistannane;Hexa-n-butylditin;
EINECS:	212-383-3
Density:	1.148 g/mL
Boiling Point:	471.8 °C at 760 mmHg
Flash Point:	240.1 °C
Solubility:	insoluble in water
Appearance:	Clear colorless to slightly yellow liquid
Hazard Symbols:	T,N
Risk Codes:	21-25-36/38-48/23/25-50/53
Safety:	35-36/37/39-45-60-61
Transport Information:	UN 2788 6
PSA:	0.00000
LogP:	9.76300

Synthetic route

: 4656-04-6
bis(trimethylsilyl)mercury

: 1067-52-3
tributyltin methoxide

A: 1825-61-2
Methoxytrimethylsilane

B: 813-19-4
bis(tri-n-butyltin)

C: mercury

Conditions

Conditions	Yield
In benzene 25°C; 0.1 h;	A 95% B 98% C 96%

...Expand

: 688-73-3
tri-n-butyl-tin hydride

: 2724-79-0
tributyltin tert-butoxide

: 813-19-4
bis(tri-n-butyltin)

Conditions

Conditions	Yield
With t-C4H9OH at 110°C (200 h);	98%
In not given reaction for 200 h at 110°C;;
In not given reaction for 200 h at 110°C;;

: 111-83-1
1-bromo-octane

: 688-73-3
tri-n-butyl-tin hydride

: 4111-54-0
lithium diisopropyl amide

A: 111-65-9
octane

B: 813-19-4
bis(tri-n-butyltin)

Conditions

Conditions	Yield
In hexane; cyclohexane to 1-bromooctane (1 mmol) and Bu3SnH (1 mmol) in hexane at 0°C added LDA (1 mmol, in cyclohexane) under Ar, stirred for 20 min, quenched; analyzed by GLPC;	A 97% B 0%

...Expand

: 4656-04-6
bis(trimethylsilyl)mercury

: 56-35-9
bis(tri-n-butyltin)oxide

A: 813-19-4
bis(tri-n-butyltin)

B: 17908-18-8
Bu3SnOSiMe3

Conditions

Conditions	Yield
In hexane byproducts: Hg; 2:1; 25°C; 0.2 h;	A n/a B 97%
In benzene byproducts: Hg; 2:1; 25°C; 0.2 h;	A n/a B 97%
In benzene byproducts: Hg; 2:1; 25°C; 0.2 h;	A n/a B 97%
In hexane byproducts: Hg; 2:1; 25°C; 0.2 h;	A n/a B 97%

...Expand

: dichlorobis(acetylacetonato-O,O')titanium(IV)

: 4226-01-1
tri-n-butyltin lithium

A: titanium(III) tris-acetylacetonate

B: Ti(CH3COCHCOCH3)2(Sn(CH3(CH2)3)3)2

C: 688-73-3
tri-n-butyl-tin hydride

D: 813-19-4
bis(tri-n-butyltin)

Conditions

Conditions	Yield
In tetrahydrofuran byproducts: LiCl, Ti(Sn(C4H9)3)1.7; addn. of Bu3SnLi to Ti-compound in soln. (-78°C), stirred, mixt. brought to 20°C, soln. became blue; evapn. in vac., residue washed with pentane, sublimation (10**-3 Torr, 90°C); elem. anal., chromy.;	A 90% B 0% C 30% D 96%

...Expand

: 1175712-18-1, 1175712-19-2
N-[(1R)-2-hydroxy-1-phenylethyl]-N-[(1S)-1-(tributylstannyl)but-3-en-1-yl]benzenesulfonamide

A: 56613-80-0
(R)-Phenylglycinol

B: 813-19-4
bis(tri-n-butyltin)

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate In acetonitrile Inert atmosphere; Electrolysis;	A 96% B n/a

: 688-73-3
tri-n-butyl-tin hydride

: 4111-54-0
lithium diisopropyl amide

A: 1333-74-0
hydrogen

B: 813-19-4
bis(tri-n-butyltin)

Conditions

Conditions	Yield
In diethyl ether; cyclohexane byproducts: i-Pr2NH; Bu3SnH in Et2O cooled to 0°C under Ar, LDA in cyclohexane (1.6 M) added via syringe, stirred for 60 min at room temp., hydrolysis;	A 90% B 94%

...Expand

: 688-73-3
tri-n-butyl-tin hydride

: 813-19-4
bis(tri-n-butyltin)

Conditions

Conditions	Yield
((tBuC5H4)2Y(μ-H))2 In benzene byproducts: H2; (Ar); stirring (70°C, 30 min);	91%
In benzene Ar-atmosphere; stirring (70°C, 0.5 h);	91%
[(κ2-P,N)-3-(N,N-dimethylamino)propyldiphenylphosphino]dimethylplatinum(II) In not given byproducts: H2;

: 1461-22-9
tributyltin chloride

: 813-19-4
bis(tri-n-butyltin)

Conditions

Conditions	Yield
In tetrahydrofuran Electrolysis; electrolysis carried out galvanostatically at 25-28°C in an atm.of dry N2, electrolyte 0.4 M LiClO4/THF; hexane added to electrolyte, ppt. filtered off, filtrate analyzed for product by GC;	90%
With samarium; samarium diiodide In tetrahydrofuran chlorostannane added to soln. of SmI2 in THF (cat. SmI2/Sm-mixed system); mixt. stirred for 24 h at room temp.; mixt.poured into 1.5N hydrochloric acid; extracted (diethyl ether); washed two times with aq. NaHCO3 then aq. NaCl; dried over MgSO4; filtrated; evapd.; purified by recycling HPLC wit CHCl3;	85%
With magnesium; samarium diiodide In tetrahydrofuran chlorostannane added to soln. of SmI2 in THF (cat. SmI2/Mg-mixed system); mixt. stirred for 24 h at room temp.;mixt. poured into 1.5N hydrocloric acid; extracted (diethyl ether); washed two times with aq. NaHCO3 then aq.NaCl; dried over MgSO4; filtrated; evapd.; purified by recycling HPLC with CHCl3;	82%

: 131551-96-7
Ti(OC(CH3)3)2(Sn(C4H9)3)2

A: titanium bis(tert-butoxide)

B: 813-19-4
bis(tri-n-butyltin)

Conditions

Conditions	Yield
In xylene starting material in soln. heated at 150°C for 6h;	A n/a B 90%

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Specification

The Distannane,1,1,1,2,2,2-hexabutyl-, with the CAS registry number 813-19-4, is also known as Hexabutyldistannane. It belongs to the product categories of Classes of Metal Compounds; Sn (Tin) Compounds; Typical Metal Compounds. Its EINECS registry number is 212-383-3. This chemical's molecular formula is C₂₄H₅₄Sn₂ and molecular weight is 580.11. What's more, both its IUPAC name and systematic name are the same which is called Tributyl-tributylstannyl-stannane.

Physical properties about Distannane,1,1,1,2,2,2-hexabutyl- are: (1)ACD/LogP: 16.70; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 16.7; (4)ACD/LogD (pH 7.4): 16.7; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 19; (8)Polar Surface Area: Å²; (9)Flash Point: 240.1 °C; (10)Enthalpy of Vaporization: 70.65 kJ/mol; (11)Boiling Point: 471.8 °C at 760 mmHg; (12)Vapour Pressure: 1.29E-08 mmHg at 25 °C.

Preparation of Distannane,1,1,1,2,2,2-hexabutyl-: this chemical can be prepared by Anthracene-9,10-dicarbonitrile with Benzyl-tributyl-stannane. This reaction needs reagent benzene and other condition of irradiation. The yield is 28 %.

Distannane,1,1,1,2,2,2-hexabutyl- can be prepared by Anthracene-9,10-dicarbonitrile with Benzyl-tributyl-stannane.

Uses of Distannane,1,1,1,2,2,2-hexabutyl-: it is used to produce other chemicals. For example, it can react with 4-Methylquinoline trifluoroacetate to get 2-Butyl-4-methylquinoline. The reaction occurs with reagent acetonitrile and other condition of irradiation. The yield is 30 %.

Distannane,1,1,1,2,2,2-hexabutyl- can react with 4-Methylquinoline trifluoroacetate to get 2-Butyl-4-methylquinoline.

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health and present an immediate or delayed danger to one or more components of the environment. It is toxic by inhalation and if swallowed. What's more, this chemical is very toxic to aquatic organisms and it may cause long-term adverse effects in the aquatic environment. Therefore, you should obtain special instructions before use it and avoid releasing to the environment. In addition, you should dispose of this material and its container as hazardous waste. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: CCCC[Sn](CCCC)(CCCC)[Sn](CCCC)(CCCC)CCCC
(2) InChI: InChI=1/6C4H9.2Sn/c6*1-3-4-2;;/h6*1,3-4H2,2H3;;/rC24H54Sn2/c1-7-13-19-25(20-14-8-2,21-15-9-3)26(22-16-10-4,23-17-11-5)24-18-12-6/h7-24H2,1-6H3
(3) InChIKey: REDSKZBUUUQMSK-NRFXJKAKAK