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13331-52-7

Basic Information
CAS No.: 13331-52-7
Name: TRIBUTYLTIN ACRYLATE
Molecular Structure:
Molecular Structure of 13331-52-7 (TRIBUTYLTIN ACRYLATE)
Formula: C15H30O2Sn
Molecular Weight: 361.112
Synonyms: Stannane,(acryloyloxy)tributyl- (8CI);Stannane, tributyl[(1-oxo-2-propenyl)oxy]- (9CI);Tin, (acryloyloxy)tributyl- (7CI);Tributyltin acrylate (6CI);Acrylic acid,tributyltin deriv;Tributylacryloyloxystannane;Tributylstannyl acrylate;Tributyltin acrylate;(Acryloyloxy)(tributyl)stannane;
EINECS: 236-381-7
Melting Point: 69-70 °C
Boiling Point: 335.6 °C at 760 mmHg
Flash Point: 156.8 °C
PSA: 26.30000
LogP: 5.06140
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Specification

The 2-Propenoic acid,tributylstannyl ester, with the CAS registry number 13331-52-7, is also known as Tributyltin acrylate. Its EINECS number is 236-381-7. It belongs to the product category of Monomer. This chemical's molecular formula is C15H30O2Sn and molecular weight is 361.11. What's more, its systematic name is (Acryloyloxy)(tributyl)stannane. Its classification code is Organometallic. Its storage temperature is below 5 °C.

Physical properties of 2-Propenoic acid,tributylstannyl ester are: (1)ACD/LogP: 8.94; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.94; (4)ACD/LogD (pH 7.4): 8.94; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1728414.88; (8)ACD/KOC (pH 7.4): 1728414.88; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 26.3 Å2; (13)Flash Point: 156.8 °C; (14)Enthalpy of Vaporization: 57.87 kJ/mol; (15)Boiling Point: 335.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000119 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC[Sn](CCCC)(CCCC)OC(=O)C=C
(2)InChI: InChI=1S/3C4H9.C3H4O2.Sn/c3*1-3-4-2;1-2-3(4)5;/h3*1,3-4H2,2H3;2H,1H2,(H,4,5);/q;;;;+1/p-1
(3)InChIKey: YSUXTNDMKYYZPR-UHFFFAOYSA-M