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CAS No.: | 106726-11-8 |
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Name: | NEODYMIUM NEODECANOATE |
Molecular Structure: | |
Formula: | C10H20O2 · 1/3Nd |
Molecular Weight: | 219.33 |
Synonyms: | Neodecanoicacid, neodymium(3+) salt (9CI);Neodymium neocaprate;Neodymium neodecanoate; |
Boiling Point: | 265.6 °C at 760 mmHg |
Flash Point: | 121.3 °C |
Risk Codes: | 11-36/37/38 |
Safety: | 9-16-26-36 |
PSA: | 120.39000 |
LogP: | 5.19870 |
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The Neodecanoic acid,neodymium(3+) salt (3:1), with the CAS registry number 106726-11-8, is also known as Neodymium tris(7,7-dimethyloctanoate). It belongs to the product category of Organic-Metal Salt. This chemical's molecular formula is C10H20O2 · 1/3Nd and molecular weight is 658.01. What's more, its IUPAC name is called 7,7-Dimethyloctanoate; neodymium(3+).
Physical properties about Neodecanoic acid,neodymium(3+) salt (3:1) 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 dealing with this chemical, you should be very careful. It is highly flammable. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing and keep container in a well-ventilated place. And it should be kept away from sources of ignition. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: [Nd+3].[O-]C(=O)CCCCCC(C)(C)C.[O-]C(=O)CCCCCC(C)(C)C.[O-]C(=O)CCCCCC(C)(C)C
(2) InChI: InChI=1S/3C10H20O2.Nd/c3*1-10(2,3)8-6-4-5-7-9(11)12;/h3*4-8H2,1-3H3,(H,11,12);/q;;;+3/p-3
(3) InChIKey: UZGARMTXYXKNQR-UHFFFAOYSA-K