CAS No.6452-61-5,DI-N-BUTYLDIPHENYLTIN Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	6452-61-5
Name:	DI-N-BUTYLDIPHENYLTIN
Article Data:	22

Formula:	C₂₀H₂₈Sn
Molecular Weight:	387.152
Synonyms:	Tin,dibutyldiphenyl- (6CI,7CI);Dibutyldiphenylstannane;Dibutyldiphenyltin;Diphenyldibutylstannane;Diphenyldibutyltin;dibutyl(diphenyl)stannane;Dibutyldiphenyl tin;Dibutyldiphenyltin;Di-N-butyldiphenyltin(IV);Dibutyl(diphenyl)stannan;
EINECS:	229-256-3
Density:	1.17 g/mL at 25 °C(lit.)
Boiling Point:	400.9 °C at 760 mmHg
Flash Point:	200 °C
Hazard Symbols:	T；N
Risk Codes:	23/24/25-36/37/38-50/53
Safety:	26-27-45-60-61
Transport Information:	UN 2788 6.1/PG 3
PSA:	0.00000
LogP:	4.84980

Total:17 Page 1 of 1 1

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Specification

The Dibutyldiphenyltin, with the CAS registry number 6452-61-5 and EINECS registry number 229-256-3, has the systematic name of dibutyl(diphenyl)stannane. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₂₀H₂₈Sn.

The characteristics of Dibutyldiphenyltin are as followings: (1)ACD/LogP: 10.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.18; (4)ACD/LogD (pH 7.4): 10.18; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 8209940.5; (8)ACD/KOC (pH 7.4): 8209940.5; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 0 Å²; (13)Flash Point: 200 °C; (14)Enthalpy of Vaporization: 62.65 kJ/mol; (15)Boiling Point: 400.9 °C at 760 mmHg; (16)Vapour Pressure: 2.84E-06 mmHg at 25°C.

Uses of Dibutyldiphenyltin: It can react with 4-nitro-benzoyl chloride to produce 4-nitro-benzophenone. This reaction will need reagent benzylchlorobis(triphenylphosphine)palladium(II), and the menstruum CHCl₃. The reaction time is 18 hours with temperature of 65°C, and the yield is about 80%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(ccc1)[Sn](c2ccccc2)(CCCC)CCCC
(2)InChI: InChI=1/2C6H5.2C4H9.Sn/c2*1-2-4-6-5-3-1;2*1-3-4-2;/h2*1-5H;2*1,3-4H2,2H3;/rC20H28Sn/c1-3-5-17-21(18-6-4-2,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3
(3)InChIKey: DTYWIPLKZHQUMW-ZDHSYUITAL