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Trichlorophenylstannane

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Name

Trichlorophenylstannane

EINECS 214-393-3
CAS No. 1124-19-2 Density 1.839 g/mL at 25 °C(lit.)
PSA 0.00000 LogP 2.54890
Solubility Reacts with water. Melting Point -31 °C
Formula C6H5Cl3Sn Boiling Point 257.5 °C at 760 mmHg
Molecular Weight 302.175 Flash Point 109.6 °C
Transport Information UN 3265 8/PG 2 Appearance Clear colorless liquid,darkening on light exposure
Safety 26-27-28-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 1124-19-2 (PHENYLTIN TRICHLORIDE) Hazard Symbols CorrosiveC
Synonyms

Phenyltintrichloride (6CI);Monophenyltin chloride;Monophenyltin trichloride;NSC92617;Phenyltrichlorostannane;Phenyltrichlorotin;Trichlorophenylstannane;Trichlorophenyltin;

Article Data 33

Trichlorophenylstannane Specification

The CAS register number of Trichlorophenylstannane is 1124-19-2. It also can be called as Stannane,trichlorophenyl- and the IUPAC name about this chemical is trichloro(phenyl)stannane. The molecular formula about this chemical is C6H5Cl3Sn and the molecular weight is 302.17. It belongs to the following product categories, such as Classes of Metal Compounds; Sn (Tin) Compounds; Typical Metal Compounds and so on.

Physical properties about Trichlorophenylstannane are: (1)ACD/LogP: 1.77; (2)ACD/LogD (pH 5.5): 1.77; (3)ACD/LogD (pH 7.4): 1.77; (4)ACD/BCF (pH 5.5): 13.02; (5)ACD/BCF (pH 7.4): 13.02; (6)ACD/KOC (pH 5.5): 218.52; (7)ACD/KOC (pH 7.4): 218.52; (8)#Freely Rotating Bonds: 1; (9)Flash Point: 109.6 °C; (10)Enthalpy of Vaporization: 47.51 kJ/mol; (11)Boiling Point: 257.5 °C at 760 mmHg; (12)Vapour Pressure: 0.0233 mmHg at 25°C.

Uses of Trichlorophenylstannane: it can be used to produce 3-phenyl-cyclohexanone with cyclohex-2-enone. This reaction will need reagent (COD)2RhBF4 and aq. KOH. The yield is about 92%.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you need take off immediately all contaminated clothing. After contact with skin, wash immediately with plenty of soap-suds. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl[Sn](Cl)(Cl)c1ccccc1
(2)InChI: InChI=1/C6H5.3ClH.Sn/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H;/q;;;;+3/p-3/rC6H5Cl3Sn/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
(3)InChIKey: UBOGEXSQACVGEC-WUWOGSJIAL
(4)Std. InChI: InChI=1S/C6H5.3ClH.Sn/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H;/q;;;;+3/p-3
(5)Std. InChIKey: UBOGEXSQACVGEC-UHFFFAOYSA-K

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