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Butyltintrichloride

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Name

Butyltintrichloride

EINECS 214-263-6
CAS No. 1118-46-3 Density 1.693 g/mL at 25 °C(lit.)
PSA 0.00000 LogP 3.44180
Solubility soluble in water Melting Point -63 °C
Formula C4H9Cl3Sn Boiling Point 226.8 °C at 760 mmHg
Molecular Weight 282.184 Flash Point 91 °C
Transport Information UN 3265 8/PG 2 Appearance Clear yellow liquid
Safety 26-27-28-36/37/39-45 Risk Codes 20/21/22-34-20/21
Molecular Structure Molecular Structure of 1118-46-3 (Butyltin trichloride) Hazard Symbols CorrosiveC
Synonyms

MBTC;Butyltin trichloride (BuSnCl3);Butyltrichlorostannane;Butyltrichlorotin;Certincoat TC 100;Butyltintrichloride (6CI);NSC 67013;Trichlorobutylstannane;Trichlorobutyltin;n-Butyltin trichloride;Mono-n-butyltin trichloride;Butyltin trichloride;

Article Data 32

Butyltintrichloride Synthetic route

1461-25-2

tetra-n-butyltin(IV)

7646-78-8

tin(IV) chloride

A

1118-46-3

Trichlorbutylstannan

B

683-18-1

dibutyltin chloride

Conditions
ConditionsYield
molar ratio of Sn(C4H9)4:SnCl4 = 1:3, 8 h, 203°C;A 96%
B n/a
molar ratio of Sn(C4H9)4:SnCl4 = 1:3, 8 h, 203°C;A 96%
B n/a
molar ratio of Sn(C4H9)4:SnCl4 = 1:2, 3 h, 100°C;
683-18-1

dibutyltin chloride

7646-78-8

tin(IV) chloride

A

1118-46-3

Trichlorbutylstannan

B

tin(ll) chloride

Conditions
ConditionsYield
cis-dichlorobis(triphenylphosphine)platinum(II) In toluene stirred for 2 h at 110°C, catalyst added stirred for 12 h at 110°C; cooled to room temp., filtered, ppt. (SnCl2) washed (toluene), dried, filtrate evapd. (vac.), distilled (90°C/11 mm Hg);A 83%
B 3.7%
cis-dichlorobis(triphenylphosphine)platinum(II) In toluene stirred for 12 h at 110°C; cooled to room temp., filtered, ppt. (SnCl2) washed (toluene), dried, filtrate evapd. (vac.), distilled (90°C/11 mm Hg); elem. anal.;A 80%
B 13%
cis-dichlorobis(triphenylphosphine)platinum(II) In o-xylene stirred for 12 h at 110°C; cooled to room temp., filtered, ppt. (SnCl2) washed (toluene), dried; NMR;A n/a
B 19%
7647-01-0

hydrogenchloride

2847-57-6

butyltriphenyltin

1118-46-3

Trichlorbutylstannan

Conditions
ConditionsYield
In diethyl ether; dichloromethane at -78 - 20℃; for 12.5h;80%
In diethyl ether; dichloromethane at -78 - 20℃; for 12.5h;80%
109-69-3

n-Butyl chloride

1118-46-3

Trichlorbutylstannan

Conditions
ConditionsYield
With stannous chloride; iodine; magnesium In tetrahydrofuran; toluene55%
36854-57-6

2-Phenylbutyryl chloride

2847-57-6

butyltriphenyltin

A

16282-16-9

1,2-diphenyl-butan-1-one

B

1118-46-3

Trichlorbutylstannan

Conditions
ConditionsYield
With indium In neat (no solvent) at 80℃; for 0.25h; Inert atmosphere; Sonication; regioselective reaction;A 25%
B n/a
693-04-9

butyl magnesium bromide

SnCl4

SnCl4

1118-46-3

Trichlorbutylstannan

1461-25-2

tetra-n-butyltin(IV)

7646-78-8

tin(IV) chloride

A

1118-46-3

Trichlorbutylstannan

B

683-18-1

dibutyltin chloride

C

1461-22-9

tributyltin chloride

Conditions
ConditionsYield
With aluminium trichloride 6 h, 100°C;
200°C, 10 Torr;
molar ratio of educts = 1:1, 0-20°C;
With aluminium trichloride 6 h, 100°C;
200°C, 10 Torr;
1461-25-2

tetra-n-butyltin(IV)

7646-78-8

tin(IV) chloride

1118-46-3

Trichlorbutylstannan

Conditions
ConditionsYield
6 h, 160°C;
1461-25-2

tetra-n-butyltin(IV)

7646-78-8

tin(IV) chloride

A

1118-46-3

Trichlorbutylstannan

B

1461-22-9

tributyltin chloride

Conditions
ConditionsYield
molar ratio of educts = 1:1, 0-50°C;
1118-46-3

Trichlorbutylstannan

594-27-4

tetramethylstannane

A

753-73-1

dimethyltin dichloride

B

15649-24-8

butyl-methyl-tin dichloride

Conditions
ConditionsYield
2-fold excess of C4H9SnCl3, 180°C, 2h;A n/a
B 99.4%
2-fold excess of C4H9SnCl3, 180°C, 2h;A n/a
B 99.4%

Butyltintrichloride Consensus Reports

Reported in EPA TSCA Inventory.

Butyltintrichloride Standards and Recommendations

OSHA PEL: TWA 0.1 mg(Sn)/m3 (skin)
ACGIH TLV: TWA 0.1 mg(Sn)/m3; STEL 0.2 mg(Sn)/m3 (skin).
NIOSH REL: (Organotin Compounds) TWA 0.1 mg(Sn)/m3

Butyltintrichloride Analytical Methods

For occupational chemical analysis use NIOSH: Organotin Compounds 5504.

Butyltintrichloride Specification

The Butyl trichloro stannane, with the CAS registry number 1118-46-3 and EINECS registry number 214-263-6, has the systematic name of butyl(trichloro)stannane. It is a kind of clear yellow liquid which is also moisture sensitive. And the molecular formula of the chemical is C4H9Cl3Sn. What's more, it is always used as intensifier of glasses.

The physical properties of Butyl trichloro stannane are as followings: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.5; (4)ACD/LogD (pH 7.4): 0.5; (5)ACD/BCF (pH 5.5): 1.42; (6)ACD/BCF (pH 7.4): 1.42; (7)ACD/KOC (pH 5.5): 44.74; (8)ACD/KOC (pH 7.4): 44.74; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Flash Point: 91 °C; (14)Enthalpy of Vaporization: 44.46 kJ/mol; (15)Boiling Point: 226.8 °C at 760 mmHg; (16)Vapour Pressure: 0.12 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed, and may also cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; After contact with skin, take off immediately all contaminated clothing and wash imediately with plenty of.... (to be specified by the manufacturer); In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Cl[Sn](Cl)(Cl)CCCC
(2)InChI: InChI=1/C4H9.3ClH.Sn/c1-3-4-2;;;;/h1,3-4H2,2H3;3*1H;/q;;;;+3/p-3/rC4H9Cl3Sn/c1-2-3-4-8(5,6)7/h2-4H2,1H3
(3)InChIKey: YMLFYGFCXGNERH-YHJCLRPYAB

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2140mg/kg (2140mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1245, 1986.

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