CAS No.49556-16-3,BIS(NEODECANOATE)TIN Suppliers

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Basic Information

Molecular Structure:
CAS No.:	49556-16-3
Name:	BIS(NEODECANOATE)TIN

Formula:	C₁₀H₂₀O₂ ·1/2Sn
Molecular Weight:	231.36
Synonyms:	Neodecanoicacid, tin(2+) salt (9CI);Neostann U 50;Stannous Ten-Cem;Stannousneodecanoate;Tin(2+) neodecanoate;U 50;
EINECS:	256-370-0
Density:	1,16 g/cm3
Melting Point:	<0 °C
Boiling Point:	265.6 °C at 760 mmHg
Flash Point:	121.3 °C
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
PSA:	52.60000
LogP:	5.60020

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Specification

The Bis(neodecanoate)tin, with the CAS registry number 49556-16-3, is also known as Tin(2+) neodecanoate. Its EINECS number is 256-370-0. This chemical's molecular formula is C₁₀H₂₀O₂ ·1/2Sn and molecular weight is 231.36. What's more, its systematic name is Tin(2+) bis(7,7-dimethyloctanoate).

Physical properties of Bis(neodecanoate)tin are: (1)ACD/LogP: 3.6; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.80; (4)ACD/LogD (pH 7.4): 1.01; (5)ACD/BCF (pH 5.5): 51.13; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 345.28; (8)ACD/KOC (pH 7.4): 5.54; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 37.3 Å²; (13)Flash Point: 121.3 °C; (14)Enthalpy of Vaporization: 55.42 kJ/mol; (15)Boiling Point: 265.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00263 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Sn+2]
(2)Std. InChI: InChI=1S/2C10H20O2.Sn/c2*1-10(2,3)8-6-4-5-7-9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2
(3)Std. InChIKey: SROUPOMLWHGKPN-UHFFFAOYSA-L