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12228-57-8 molecular structure
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oxo({[oxo(10B)boranyl]oxy})(10B)borane

ChemBase ID: 137240
Molecular Formular: B2H2O3
Molecular Mass: 70.039954
Monoisotopic Mass: 70.02626792
SMILES and InChIs

SMILES:
[10BH](=O)O[10BH]=O
Canonical SMILES:
O=[10BH]O[10BH]=O
InChI:
InChI=1S/B2O3/c3-1-5-2-4/i1-1,2-1
InChIKey:
JKWMSGQKBLHBQQ-BHBJOZJASA-N

Cite this record

CBID:137240 http://www.chembase.cn/molecule-137240.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
oxo({[oxo(10B)boranyl]oxy})(10B)borane
IUPAC Traditional name
oxo({[oxo(10B)boranyl]oxy})(10B)borane
Synonyms
Boron oxide-10B
氧化硼-10B
CAS Number
12228-57-8
MDL Number
MFCD00191837
PubChem SID
24866687
162231505
PubChem CID
16212772

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
426172 external link Add to cart Please log in.
Data Source Data ID
PubChem 16212772 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7684  LogD (pH = 7.4) 1.7684 
Log P 1.7684  Molar Refractivity 4.236 cm3
Polarizability 5.1885743 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
450 °C(lit.) expand Show data source
Density
2.404 g/mL at 25 °C(lit.) expand Show data source
Mass Shift
M-2 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Isotopic Purity
99 atom % 10B expand Show data source
Mol. Weight
mol wt 68.02 by atom % calculation expand Show data source
Linear Formula
10B2O3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 426172 external link
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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