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900-95-8

Basic Information
CAS No.: 900-95-8
Name: Acetic acid, triphenylstannyl ester
Article Data: 23
Cas Database
Molecular Structure:
Molecular Structure of 900-95-8 (Acetic acid, triphenylstannyl ester)
Formula: C20H18O2Sn
Molecular Weight: 409.072
Synonyms: Sunitron A;Suzu;TPTA;Tin triphenyl acetate;Tinestan;Triphenylacetostannane;VP 19-40;Stannane,(acetyloxy)triphenyl- (9CI);Stannane, acetoxytriphenyl- (8CI);Triphenyltinacetate (6CI);(Acetyloxy)triphenylstannane;Acetatotriphenylstannane;Acetoxytriphenylstannane;Batasan;Betafen;Brestan;Brestan 60;Brestanid;ENT25208;GC 6936;Liromatin;Lirostanol;NSC 76068;Phentinacetate;Fentin acetate;
EINECS: 212-984-0
Density: 1.55 g/cm3
Melting Point: 118-122 °C
Boiling Point: 60 °C
Flash Point: N/A
Solubility: water: 28 mg/L (20 °C)
Appearance: white crystalline solid
Hazard Symbols: DangerousN,VeryT+
Risk Codes: 24/25-26-37/38-40-41-48/23-50/53-63
Safety: 26-28-36/37/39-45-60-61
Transport Information: UN 3146
PSA: 26.30000
LogP: 2.21660
Synthetic route
892-20-6

triphenylstannane

64-19-7

acetic acid

900-95-8

triphenyltin acetate

Conditions
ConditionsYield
In n-heptane reaction of excess (C6H5)3SnH on refluxing for 3 h;;85%
In not given reaction at 70°C for 0.5 h;;17%
64-19-7

acetic acid

triphenyl tin-hydroxide

triphenyl tin-hydroxide

900-95-8

triphenyltin acetate

892-20-6

triphenylstannane

2587-82-8

tributyllead acetate

900-95-8

triphenyltin acetate

Conditions
ConditionsYield
In not given byproducts: (C2H5)3PbH;
159113-64-1

triphenyl(4-t-butylphenoxo)tin(IV)

900-95-8

triphenyltin acetate

Conditions
ConditionsYield
With acetic acid In benzene mixt. refluxed, resulting solid washed with petroleum ether; resulting solid washed with petroleum ether, dried under reduced pressure, elem. anal.;
42441-88-3

(CO)3CrC6H5Sn(C6H5)3

900-95-8

triphenyltin acetate

Conditions
ConditionsYield
With acetic acid
With CH3COOH
64-19-7

acetic acid

17421-63-5, 17421-65-7

(Z)-1-ethoxy-2-triphenylstannylethene

A

900-95-8

triphenyltin acetate

B

109-92-2

ethyl vinyl ether

Conditions
ConditionsYield
In chloroform-d1 Kinetics; (Ar); addn. of a soln. of acetic acid in CDCl3 to a soln. of tin compd. in CDCl3 at room temp.; detected by NMR;
64-19-7

acetic acid

17421-65-7, 17421-63-5

(E)-1-ethoxy-2-triphenylstannylethene

A

900-95-8

triphenyltin acetate

B

109-92-2

ethyl vinyl ether

Conditions
ConditionsYield
In chloroform-d1 Kinetics; (Ar); addn. of a soln. of acetic acid in CDCl3 to a soln. of tin compd. in CDCl3 at room temp.; detected by NMR;
19464-46-1

acetic acid-(2-triphenylstannyl-ethyl ester)

900-95-8

triphenyltin acetate

Conditions
ConditionsYield
In neat (no solvent) byproducts: CH2CH2; decomposition above 180 °C;;
In neat (no solvent) byproducts: CH2CH2; decomposition above 180 °C;;
Multi-step reaction with 2 steps
1: water
2: CH3COOH / neat (no solvent)
View Scheme
24509-93-1

(C6H5)3SnCH(CH3)CH(CH3)OH

900-95-8

triphenyltin acetate

Conditions
ConditionsYield
With acetic acid In methanol Kinetics; byproducts: CH3CHCHCH3;
With acetic acid In methanol Kinetics; byproducts: CH3CHCHCH3;
23604-58-2

(C6H5)3SnCH2C(CH3)2OH

900-95-8

triphenyltin acetate

Conditions
ConditionsYield
With acetic acid In methanol Kinetics; byproducts: CH2C(CH3)2;
With acetic acid In methanol Kinetics; byproducts: CH2C(CH3)2;
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Consensus Reports

EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory.

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

Analytical Methods

For occupational chemical analysis use NIOSH: organotin compounds 5504.

Specification

The Fentin acetate, with the CAS registry number 900-95-8, is also known as Triphenylaceto stannane. It belongs to the product categories of Herbicide; Organotin Compound. Its EINECS number is 212-984-0. This chemical is an organotin compound with the formula C20H18O2Sn and its molecular weight is 409.05. What's more, its systematic name is Triphenylstannanylium acetate. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides. Its classification codes are: (1)Agricultural Chemical; (2)Fungicide, bactericide, wood preservative; (3)Fungicides, industrial; (4)Herbicide; (5)Insect attractant, repellent and chemosterilant; (6)Molluscicide; (7)Mutation data; (8)Noxae; (9)Organometallic; (10)Pesticides; (11)Reproductive Effect; (12)Teratogens; (13)Tumor data. It is a colourless solid that is used as a fungicide.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic in contact with skin and if swallowed and is very toxic by inhalation. It is irritating to respiratory system and skin. It has a limited evidence of a carcinogenic effect and a risk of serious damage to eyes. This substance is toxic as it has a danger of serious damage to health by prolonged exposure through inhalation. It is very toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. It has a possible risk of harm to the unborn child. 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 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 refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)C.c3c([Sn+](c1ccccc1)c2ccccc2)cccc3
(2)Std. InChI: InChI=1S/3C6H5.C2H4O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1
(3)Std. InChIKey: WDQNIWFZKXZFAY-UHFFFAOYSA-M

The toxicity data is as follows:  

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 100mg/kg (100mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
chicken LD oral > 300mg/kg (300mg/kg)   British Journal of Industrial Medicine. Vol. 23, Pg. 222, 1966.
chicken LDLo intraperitoneal 40mg/kg (40mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
British Journal of Industrial Medicine. Vol. 23, Pg. 222, 1966.
guinea pig LD50 intraperitoneal 3740ug/kg (3.74mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
British Journal of Industrial Medicine. Vol. 23, Pg. 222, 1966.
guinea pig LD50 oral 21mg/kg (21mg/kg)   "Pflanzenschutz-und Schaedlingsbekaempfungsmittel: Abriss einer Toxikologie und Therapie von Vergiftungen," 2nd ed., Klimmer, O.R., Hattingen, Fed. Rep. Ger., Hundt-Verlag, 1971Vol. -, Pg. 127, 1971.
guinea pig LDLo skin 180mg/kg (180mg/kg)   British Journal of Industrial Medicine. Vol. 23, Pg. 222, 1966.
guinea pig LDLo skin 180mg/kg (180mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
British Journal of Industrial Medicine. Vol. 23, Pg. 222, 1966.
mouse LD50 intraperitoneal 7900ug/kg (7.9mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) British Journal of Industrial Medicine. Vol. 23, Pg. 222, 1966.
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00648,
mouse LD50 oral 81mg/kg (81mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) British Journal of Industrial Medicine. Vol. 23, Pg. 222, 1966.
mouse LD50 subcutaneous 44mg/kg (44mg/kg)   Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 281, 1973.
quail LD50 oral 100mg/kg (100mg/kg)   Journal of Reproduction and Fertility. Vol. 48, Pg. 371, 1976.
rabbit LD50 intraperitoneal 10mg/kg (10mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Arzneimittel-Forschung. Drug Research. Vol. 13, Pg. 432, 1963.
rabbit LD50 oral 30mg/kg (30mg/kg)   "Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel," Perkow, W., Berlin, Verlag Paul Parey, 1971-1976Vol. -, Pg. -, 1971/1976.
rat LD50 intraperitoneal 8500ug/kg (8.5mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) British Journal of Industrial Medicine. Vol. 23, Pg. 222, 1966.
rat LD50 intravenous 18mg/kg (18mg/kg)   Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 281, 1973.
rat LD50 oral 125mg/kg (125mg/kg)   Tin and Its Uses. Vol. 43, Pg. 9, 1958.
rat LD50 skin 450mg/kg (450mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 934, 1969.