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23535-89-9

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Basic Information
CAS No.: 23535-89-9
Name: 3,3-Dibutyl-6,7,8,9-tetrachloro-2,4,3-benzodioxastannepin-1,5-dione
Molecular Structure:
Molecular Structure of 23535-89-9 (3,3-Dibutyl-6,7,8,9-tetrachloro-2,4,3-benzodioxastannepin-1,5-dione)
Formula: C16H18 Cl4 O4 Sn
Molecular Weight: 534.839
Synonyms: Dibutyl(tetrachlorophthalato)stannane;2,4,3-BENZODIOXASTANNEPIN-1,5-DIONE,3,3-DIBUTYL-6,7,8,9-TETRACHLORO;Dibutyltin tetrachlorophthalate;Stannane,dibutyl(tetrachlorophthalato);
Density: g/cm3
Boiling Point: 439.1°Cat760mmHg
Flash Point: 219.4°C
Hazard Symbols: A poison. TWA 0.1 mg(Sn)/m3; STEL 0.2 mg(Sn)/m3 (skin).
Safety: Poison by intravenous route. See also TIN COMPOUNDS. When heated to decomposition it emits toxic fumes of Cl−.

Analytical Methods:

   

For occupational chemical analysis use NIOSH: Organotin Compounds, 5504.

PSA: 52.60000
LogP: 6.66980
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Chemistry

Molecule structure of Dibutyl(tetrachlorophthalato)stannane (CAS NO.23535-89-9):

IUPAC Name: 3,3-Dibutyl-6,7,8,9-tetrachloro-2,4,3-benzodioxastannepine-1,5-dione 
Molecular Weight: 534.83372 g/mol
Molecular Formula: C16H18Cl4O4Sn 
Boiling Point: 439.1 °C at 760 mmHg
Flash Point: 219.4 °C
Enthalpy of Vaporization: 73.36 kJ/mol
Vapour Pressure: 1.73E-08 mmHg at 25 °C
H-Bond Acceptor: 4
Rotatable Bond Count: 6
Exact Mass: 535.895166
MonoIsotopic Mass: 533.898117
Topological Polar Surface Area: 52.6
Heavy Atom Count: 25
Complexity: 463
Canonical SMILES: CCCC[Sn]1(OC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)O1)CCCC
InChI: InChI=1S/C8H2Cl4O4.2C4H9.Sn/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;2*1-3-4-2;/h(H,13,14)(H,15,16);2*1,3-4H2,2H3;/q;;;+2/p-2
InChIKey of Dibutyl(tetrachlorophthalato)stannane (CAS NO.23535-89-9): RSGPGQHLRVNHLV-UHFFFAOYSA-L

Toxicity Data With Reference

1.    

ivn-mus LD50:180 mg/kg

     CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#02077 .

Safety Profile

Poison by intravenous route. See also TIN COMPOUNDS. When heated to decomposition it emits toxic fumes of Cl−.
Analytical Methods:      
For occupational chemical analysis use NIOSH: Organotin Compounds, 5504.

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

 Dibutyl(tetrachlorophthalato)stannane (CAS NO.23535-89-9) is also named as BRN 4028236 ; Dibutyltin tetrachlorophthalate ; Stannane, dibutyl(tetrachlorophthalato)- ; 2,4,3-Benzodioxastannepin-1,5-dione, 3,3-dibutyl-6,7,8,9-
tetrachloro- .