Fentin acetate

Fentin acetate^[1]
Names
	IUPAC name (acetoxy)(triphenyl)stannane
	Other names Phentin acetate; Triphenyltin acetate; Triphenylstannyl acetate; Acetic acid tri(phenyl)stannyl ester, Brestan
Identifiers
CAS Number	900-95-8 ; 76-87-9 (fentin hydroxide) ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:81918 ;
ChEMBL	ChEMBL474376 ;
ChemSpider	8085060 ;
ECHA InfoCard	100.011.804
EC Number	212-984-0;
KEGG	C18728 ;
PubChem CID	16682804;
UNII	70M92GQA9T ; KKL46V5313 (fentin hydroxide) ;
CompTox Dashboard (EPA)	DTXSID6021408 ;
	InChI InChI=1S/3C6H5.C2H4O2.Sn/c31-2-4-6-5-3-1;1-2(3)4;/h31-5H;1H3,(H,3,4);/q;;;;+1/p-1 Key: WDQNIWFZKXZFAY-UHFFFAOYSA-M ; InChI=1/3C6H5.C2H4O2.Sn/c31-2-4-6-5-3-1;1-2(3)4;/h31-5H;1H3,(H,3,4);/q;;;;+1/p-1/rC18H15Sn.C2H4O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2(3)4/h1-15H;1H3,(H,3,4)/q+1;/p-1 Key: WDQNIWFZKXZFAY-FRUPRYIZAN;
	SMILES [O-]C(=O)C.c3c([Sn+](c1ccccc1)c2ccccc2)cccc3;
Properties
Chemical formula	C20H18O2Sn
Molar mass	409.07 g/mol
Melting point	122-124 °C
Hazards
	Occupational safety and health (OHS/OSH):
Main hazards	Very toxic ; Dangerous for the environment
	GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H301, H311, H315, H318, H330, H335, H351, H361d, H372, H410
Precautionary statements	P201, P202, P260, P264, P270, P271, P273, P280, P284, P301+P310, P302+P352, P304+P340, P305+P351+P338, P308+P313, P310, P320, P330, P332+P313, P361, P363, P391, P403+P233, P405, P501
	Lethal dose or concentration (LD, LC):
LD50 (median dose)	21 mg/kg (guinea pig, oral); 30 mg/kg (rabbit, oral); 81 mg/kg (mouse, oral); 125 mg/kg (rat, oral)
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Fentin acetate is an organotin compound with the formula (C₆H₅)₃SnO₂CCH₃. It is a colourless solid that was previously used as a fungicide.^[3]^[4]

Structure

Most carboxylates of triphenyltin adopt polymeric structures with five-coordinate Sn centers.^[5]

References

^ Fentin acetate at Sigma-Aldrich
^ "Tin (organic compounds, as Sn)". Immediately Dangerous to Life or Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH).
^ G. G. Graf "Tin, Tin Alloys, and Tin Compounds" in Ullmann's Encyclopedia of Industrial Chemistry, 2005, Wiley-VCH.doi:10.1002/14356007.a27_049
^ Fentin Acetate. PubChem. National Library of Medicine. NIH. Accessed 13 July 2023.
^ Weng Ng, Seik; Lan Chin, Kwai; Wei, Chen; Kumar Das, V.G.; Butcher, Ray J. (1989). "Variable-temperature tin-119m Mössbauer spectroscopic and x-ray crystallographic study of triphenyltin(IV) chloroacetate, [(C6H5)3SnOC(O)CH2Cl], and a redetermination of d[ln f(T)]/DT for triphenyltin(IV) acetate". Journal of Organometallic Chemistry. 376 (2–3): 277–281. doi:10.1016/0022-328X(89)85138-1.

External links

Fentin acetate in the Pesticide Properties DataBase (PPDB)

[1] Fentin acetate at Sigma-Aldrich

[2] "Tin (organic compounds, as Sn)". Immediately Dangerous to Life or Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH).

[3] G. G. Graf "Tin, Tin Alloys, and Tin Compounds" in Ullmann's Encyclopedia of Industrial Chemistry, 2005, Wiley-VCH.doi:10.1002/14356007.a27_049

[4] Fentin Acetate. PubChem. National Library of Medicine. NIH. Accessed 13 July 2023.

[5] Weng Ng, Seik; Lan Chin, Kwai; Wei, Chen; Kumar Das, V.G.; Butcher, Ray J. (1989). "Variable-temperature tin-119m Mössbauer spectroscopic and x-ray crystallographic study of triphenyltin(IV) chloroacetate, [(C6H5)3SnOC(O)CH2Cl], and a redetermination of d[ln f(T)]/DT for triphenyltin(IV) acetate". Journal of Organometallic Chemistry. 376 (2–3): 277–281. doi:10.1016/0022-328X(89)85138-1.

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Names

IUPAC name (acetoxy)(triphenyl)stannane
Other names Phentin acetate; Triphenyltin acetate; Triphenylstannyl acetate; Acetic acid tri(phenyl)stannyl ester, Brestan
Identifiers
CAS Number	900-95-8^Y 76-87-9 (fentin hydroxide)^Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:81918^Y
ChEMBL	ChEMBL474376^Y
ChemSpider	8085060^Y
ECHA InfoCard	100.011.804
EC Number	212-984-0
KEGG	C18728^Y
PubChem CID	16682804
UNII	70M92GQA9T^Y KKL46V5313 (fentin hydroxide)^Y
CompTox Dashboard (EPA)	DTXSID6021408
InChI InChI=1S/3C6H5.C2H4O2.Sn/c31-2-4-6-5-3-1;1-2(3)4;/h31-5H;1H3,(H,3,4);/q;;;;+1/p-1^Y Key: WDQNIWFZKXZFAY-UHFFFAOYSA-M^Y InChI=1/3C6H5.C2H4O2.Sn/c31-2-4-6-5-3-1;1-2(3)4;/h31-5H;1H3,(H,3,4);/q;;;;+1/p-1/rC18H15Sn.C2H4O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2(3)4/h1-15H;1H3,(H,3,4)/q+1;/p-1 Key: WDQNIWFZKXZFAY-FRUPRYIZAN
SMILES [O-]C(=O)C.c3c([Sn+](c1ccccc1)c2ccccc2)cccc3
Properties
Chemical formula	C₂₀H₁₈O₂Sn
Molar mass	409.07 g/mol
Melting point	122-124 °C
Hazards
Occupational safety and health (OHS/OSH):
Main hazards	Very toxic Dangerous for the environment
GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H301, H311, H315, H318, H330, H335, H351, H361d, H372, H410
Precautionary statements	P201, P202, P260, P264, P270, P271, P273, P280, P284, P301+P310, P302+P352, P304+P340, P305+P351+P338, P308+P313, P310, P320, P330, P332+P313, P361, P363, P391, P403+P233, P405, P501
Lethal dose or concentration (LD, LC):
LD₅₀ (median dose)	21 mg/kg (guinea pig, oral) 30 mg/kg (rabbit, oral) 81 mg/kg (mouse, oral) 125 mg/kg (rat, oral)^[2]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references

Fentin acetate

Structure

References

External links

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