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34364-26-6 molecular structure
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bis[(2,2-dimethyloctanoyl)oxy]bismuthanyl 2,2-dimethyloctanoate

ChemBase ID: 147832
Molecular Formular: C30H57BiO6
Molecular Mass: 722.75038
Monoisotopic Mass: 722.39591254
SMILES and InChIs

SMILES:
CCCCCCC(C)(C)C(=O)O[Bi](OC(=O)C(C)(C)CCCCCC)OC(=O)C(C)(C)CCCCCC
Canonical SMILES:
CCCCCCC(C(=O)O[Bi](OC(=O)C(CCCCCC)(C)C)OC(=O)C(CCCCCC)(C)C)(C)C
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
InChIKey:
TUQRJVHQQXIPMN-UHFFFAOYSA-K

Cite this record

CBID:147832 http://www.chembase.cn/molecule-147832.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis[(2,2-dimethyloctanoyl)oxy]bismuthanyl 2,2-dimethyloctanoate
IUPAC Traditional name
bis[(2,2-dimethyloctanoyl)oxy]bismuthanyl 2,2-dimethyloctanoate
Synonyms
Bismuth trineodecanoate
Neodecanoic acid bismuth salt
Bismuth neodecanoate
新十二酸铋
CAS Number
34364-26-6
EC Number
251-964-6
MDL Number
MFCD00070469
PubChem SID
24878296
162242015
PubChem CID
16684785

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
544132 external link Add to cart Please log in.
Data Source Data ID
PubChem 16684785 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 11.4915  LogD (pH = 7.4) 11.4915 
Log P 11.4915  Molar Refractivity 145.2705 cm3
Polarizability 65.6952 Å3 Polar Surface Area 78.9 Å2
Rotatable Bonds 24  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
liquid expand Show data source
Boiling Point
300 °C(lit.) expand Show data source
Flash Point
>110 °C expand Show data source
>230 °F expand Show data source
Density
1.145 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.479(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Linear Formula
Bi(OCOC(CH3)2(CH2)5CH3)3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 544132 external link
Packaging
250 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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