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CAS No.: | 34364-26-6 |
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Name: | BISMUTH NEODECANOATE |
Molecular Structure: | |
Formula: | C30H57BiO6 |
Molecular Weight: | 722.759 |
Synonyms: | Neodecanoicacid, bismuth(3+) salt (8CI,9CI);Bismuth trineodecanoate;Coscat 83;NeoBi200;Neodecanoic acid bismuth salt;Neodecanoic acid, bismuth(3+) salt (3:1);Bismuth neodecanoate; |
EINECS: | 251-964-6 |
Density: | 1.145 g/mL at 25 °C |
Boiling Point: | 256.2 °C at 760 mmHg |
Flash Point: | 114.1 °C |
Solubility: | insoluble in water |
Appearance: | viscous light yellow liquid |
Safety: | 23-24/25 |
PSA: | 78.90000 |
LogP: | 8.97150 |
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The Bismuth(III) neodecanoate, with the CAS registry number 34364-26-6, is also known as Neodecanoic acid, bismuth(3+) salt. It belongs to the product categories of Organic-metal salt; BariumChemical Synthesis; Bismuth; Catalysis and Inorganic Chemistry; Micro/Nanoelectronics; Solution Deposition Precursors. Its EINECS number is 251-964-6. This chemical's molecular formula is C30H57BiO6 and molecular weight is 722.75. What's more, its systematic name is bis(2,2-dimethyloctanoyloxy)bismuthanyl 2,2-dimethyloctanoate. It should be sealed and stored in a cool and dry place. What's more, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.
Computational chemistry data of Bismuth(III) neodecanoate are: (1)H-Bond Donor 0; (2)H-Bond Accepto: 6; (3)Rotatable Bond Count: 9; (4)Topological Polar Surface Area: 120; (5)Heavy Atom Count: 37; (6)Formal Charge: 0; (7)Complexity: 158; (8)Defined Atom StereoCenter Count: 0; (9)Undefined Bond StereoCenter Count: 0; (10)Covalently-Bonded Unit Count: 4.
When you are using this chemical, please be cautious about it as the following:
You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCC(C)(C)C(=O)O[Bi](OC(=O)C(C)(C)CCCCCC)OC(=O)C(C)(C)CCCCCC
(2)InChI: InChI=1S/3C10H20O2.Bi/c3*1-4-5-6-7-8-10(2,3)9(11)12;/h3*4-8H2,1-3H3,(H,11,12);/q;;;+3/p-3
(3)InChIKey: TUQRJVHQQXIPMN-UHFFFAOYSA-K