CAS No.639-58-7,Chlorotriphenyltin Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	639-58-7
Name:	Chlorotriphenyltin
Article Data:	129

Formula:	C₁₈H₁₅ClSn
Molecular Weight:	385.48
Synonyms:	Triphenyltinchloride (6CI);Aquatin;Brestanol;Chlorotriphenylstannane;Chlorotriphenyltin;Fentin chloride;GC 8993;General Chemicals 8993;HOE 2872;LS 4442;NSC 1214;NSC 43675;TPTC;Triphenylchlorostannane;Triphenylchlorotin;Triphenylstannyl chloride;Triphenyltin monochloride;
EINECS:	211-358-4
Density:	1.49 g/cm3 (20oC)
Melting Point:	103-108 °C
Boiling Point:	397.125 °C at 760 mmHg
Flash Point:	199.683 °C
Solubility:	insoluble
Appearance:	colourless solid
Hazard Symbols:	T,N,C
Risk Codes:	23/24/25-50/53-34
Safety:	26-27-28-45-60-61-36/37/39
Transport Information:	UN 3146 6.1/PG 3
PSA:	0.00000
LogP:	2.89230

Synthetic route

: 1135-99-5
diphenyltin(IV) dichloride

: 66224-66-6, 66224-67-7, 66224-68-8, 66224-69-9, 134434-48-3, 134434-49-4, 134454-76-5, 134461-75-9
adenine

A [SnCl2(C6H5)(OH)(C5H3N4NH2)2]*3H2O: [SnCl2(C6H5)(OH)(C5H3N4NH2)2]*3H2O

B: 639-58-7
triphenyltin chloride

Conditions

Conditions	Yield
In methanol refluxing under N2 for 96 h;; removal of volatiles by distn.; washing of the solid residue with etherin portions; ether extract afforded SnClPh3; elem. anal.;;	A 99% B n/a

...Expand

: 1135-99-5
diphenyltin(IV) dichloride

: 58-61-7
adenosine

A: [SnCl3(C6H5)(C5H2N4(C4H4O(OH)2CH2OH)NH2)2]

B: 639-58-7
triphenyltin chloride

Conditions

Conditions	Yield
In methanol refluxing under N2 for 48 h;; removal of volatiles by distn.; residue was washed with ether in portions; ether extract afforded SnClPh3; elem. anal.;;	A 99% B n/a

...Expand

: 56-23-5
tetrachloromethane

: 595-90-4
tetraphenyltin(IV)

: 639-58-7
triphenyltin chloride

Conditions

Conditions	Yield
With bismuth(III) chloride 5h boiling;	98%

: 595-90-4
tetraphenyltin(IV)

: 7646-78-8
tin(IV) chloride

: 639-58-7
triphenyltin chloride

Conditions

Conditions	Yield
Gallium trichloride	96%
Gallium trichloride	96%
In not given Kocheshkov redistribution reaction (K. A. Kocheshkov, M. M. Nadi and A. P. Aleksandrov Chem. Ber. 67 (1934) 1348;

: trans-{RhCl(CC(SnPh3)CH(Me)OH)(Pi-Pr3)2}

: 100-56-1
phenylmercury(II) chloride

A: {Rh(CCCH(CH3)OH)Cl(HgC6H5)(P(CH(CH3)2)3)2}

B: 639-58-7
triphenyltin chloride

Conditions

Conditions	Yield
In toluene under Ar, stirred for 30 min at room temp.; removal of solvent in vac., dissolved in benzene, addn. of pentane, filtered, filtrate concd. in vac., addn. of pentane, filtered, washed with pentane, dried in vac., recrystd. (toluene/pentane 1:10); elem. anal.;	A 96% B n/a

...Expand

: trans-{RhCl(CC(SnPh3)CH2OMe)(Pi-Pr3)2}

: 100-56-1
phenylmercury(II) chloride

: {Rh(CCCH2OCH3)Cl(HgC6H5)(P(CH(CH3)2)3)2}

B: 639-58-7
triphenyltin chloride

Conditions

Conditions	Yield
In toluene under Ar, stirred for 30 min at room temp.; concn. in vac., addn. of pentane, filtered, washed with toluene/pentane (1:5), filtrate brought to dryness in vac., dissolved in toluene/pentane (1:3), stored at -78°C, filtered, washed with pentane, dried in vac.; elem. anal.;	A 95% B n/a

...Expand

: trans-{RhCl(CC(SnPh3)CH(Ph)OH)(Pi-Pr3)2}

: 100-56-1
phenylmercury(II) chloride

A: {Rh(CCCH(C6H5)OH)Cl(HgC6H5)(P(CH(CH3)2)3)2}

B: 639-58-7
triphenyltin chloride

Conditions

Conditions	Yield
In toluene under Ar, stirred for 30 min at room temp.; removal of solvent in vac., dissolved in benzene, addn. of pentane, filtered, filtrate concd. in vac., addn. of pentane, filtered, washed with pentane, dried in vac., recrystd. (toluene/pentane 1:10); elem. anal.;	A 74% B n/a

...Expand

: trans-{RhCl(CC(SnPh3)2)(Pi-Pr3)2}

: 100-56-1
phenylmercury(II) chloride

A: {Rh(CCSn(C6H5)3)Cl(HgC6H5)(P(CH(CH3)2)3)2}

B: 639-58-7
triphenyltin chloride

Conditions

Conditions	Yield
In toluene under Ar, stirred for 30 min at room temp.; removal of solvent in vac., dissolved in benzene, addn. of pentane, filtered, filtrate concd. in vac., addn. of pentane, filtered, washed withpentane, dried in vac., recrystd. (benzene/pentane 1:2); elem. anal.;	A 72% B n/a

...Expand

: 7647-01-0
hydrogenchloride

: 1064-10-4
hexaphenylditin

: 7440-39-3
barium

A: 595-90-4
tetraphenyltin(IV)

B: 639-58-7
triphenyltin chloride

Conditions

Conditions	Yield
In tetrahydrofuran; diethyl ether; ammonia byproducts: BaCl2; NH3 (liquid); (N2); charging of Ba in dry box Schlenk tubes with (SnPh3)2; addn. of THF, cooling to -78°C; condensation of pre-dried liq. NH3 onto react. mixt., reflux for 6 h at -33°C; warming to room temp.; evapn. of NH3, addn. of 1N HCl soln. in Et2O; removal of volatiles in vac., dissolving in Et2O, filtration through Celite padded filter frit, removal of solvent;	A 2% B 70%

Yield

In tetrahydrofuran; diethyl ether; ammonia byproducts: BaCl2; NH3 (liquid); (N2); charging of Ba in dry box Schlenk tubes with (SnPh3)2; addn. of THF, cooling to -78°C; condensation of pre-dried liq. NH3 onto react. mixt., reflux for 6 h at -33°C; warming to room temp.; evapn. of NH3, addn. of 1N HCl soln. in Et2O; removal of volatiles in vac., dissolving in Et2O, filtration through Celite padded filter frit, removal of solvent;

A 2%
B 70%

...Expand

: 7647-01-0
hydrogenchloride

: 1064-10-4
hexaphenylditin

: 7440-70-2
calcium

A: 595-90-4
tetraphenyltin(IV)

B: 639-58-7
triphenyltin chloride

Conditions

Conditions	Yield
In tetrahydrofuran; diethyl ether; ammonia byproducts: CaCl2; NH3 (liquid); (N2); charging of Ca in dry box Schlenk tubes with (SnPh3)2; addn. of THF, cooling to -78°C; condensation of pre-dried liq. NH3 onto react. mixt., reflux for 6 h at -33°C; warming to room temp.; evapn. of NH3, addn. of 1N HCl soln. in Et2O; removal of volatiles in vac., dissolving in Et2O, filtration through Celite padded filter frit, removal of solvent;	A 2% B 70%

Yield

In tetrahydrofuran; diethyl ether; ammonia byproducts: CaCl2; NH3 (liquid); (N2); charging of Ca in dry box Schlenk tubes with (SnPh3)2; addn. of THF, cooling to -78°C; condensation of pre-dried liq. NH3 onto react. mixt., reflux for 6 h at -33°C; warming to room temp.; evapn. of NH3, addn. of 1N HCl soln. in Et2O; removal of volatiles in vac., dissolving in Et2O, filtration through Celite padded filter frit, removal of solvent;

A 2%
B 70%

...Expand

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Analytical Methods

For occupational chemical analysis use NIOSH: Organotin Compounds 5504.

Specification

The Triphenyltin chloride, with the CAS registry number 639-58-7, is also known as Chlorotriphenyltin. It belongs to the product categories of Analytical Chemistry; Classes of Metal Compounds; Environmental Endocrine Disruptors; Sn (Tin) Compounds; Tin Compound (Environmental Endocrine Disruptors); Typical Metal Compounds; Organotin Halides Stable Isotopes; Alphabetical Listings; Organometallic Reagents; Organotin. Its EINECS number is 211-358-4. This chemical's molecular formula is C₁₈H₁₅ClSn and molecular weight is 385.46. What's more, its systematic name is Chloro(triphenyl)stannane. Its classification codes are: (1)Agricultural Chemical; (2)Drug / Therapeutic Agent; (3)Fungicide, bactericide, wood preservative; (4)Molluscicide; (5)Mutation data; (6)Organometallic; (7)Reproductive Effect. It is a colourless solid that dissolves in organic solvents. It slowly reacts with water. The main use for this compound is as a fungicide and antifoulant. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides and acids. This substance is able to control diseases of leaf spot of beet, potato blight, brown spot of rice. It is also good for inhibiting reproduction of musca domestica and insect.

Physical properties of Triphenyltin chloride are: (1)ACD/LogP: 2.807; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 80.06; (6)ACD/BCF (pH 7.4): 80.06; (7)ACD/KOC (pH 5.5): 801.82; (8)ACD/KOC (pH 7.4): 801.82; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Flash Point: 199.683 °C; (13)Enthalpy of Vaporization: 62.227 kJ/mol; (14)Boiling Point: 397.125 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25°C.

Uses of Triphenyltin chloride: it can be used to produce 4-(4-triphenylstannanyl-buta-1,3-diynyl)-morpholine at the ambient temperature. It will need solvent diethyl ether with the reaction time of 4 hours. The yield is about 40%.

Triphenyltin chloride can be used to produce 4-(4-triphenylstannanyl-buta-1,3-diynyl)-morpholine at the ambient temperature

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation, in contact with skin and if swallowed. It can cause burns. This substance is very toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. You must take off immediately all contaminated clothing. 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. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible). This material and its container must be disposed of as hazardous waste. You should avoid releasing it to the environment, and you need to refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl[Sn](c1ccccc1)(c2ccccc2)c3ccccc3
(2)Std. InChI: InChI=1S/3C6H5.ClH.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q;;;;+1/p-1
(3)Std. InChIKey: NJVOZLGKTAPUTQ-UHFFFAOYSA-M

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
chicken	LD50	oral	210mg/kg (210mg/kg)	Archiv fuer Experimentelle Veterinaermedizin. Vol. 40, Pg. 307, 1986.
mouse	LD50	intraperitoneal	21500ug/kg (21.5mg/kg)	Journal of the Indian Chemical Society. Vol. 67, Pg. 740, 1990.
mouse	LD50	intravenous	18mg/kg (18mg/kg)	U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01649,
mouse	LD50	oral	18mg/kg (18mg/kg)	Farm Chemicals Handbook. Vol. -, Pg. C314, 1991.
rat	LD50	oral	135mg/kg (135mg/kg)	Farm Chemicals Handbook. Vol. -, Pg. C314, 1991.