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1303-86-2 molecular structure
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bicyclo[1.1.1]diboroxane

ChemBase ID: 295218
Molecular Formular: B2O3
Molecular Mass: 69.6202
Monoisotopic Mass: 70.00335466
SMILES and InChIs

SMILES:
B12OB(O1)O2
Canonical SMILES:
O1B2OB1O2
InChI:
InChI=1S/B2O3/c3-1-4-2(3)5-1
InChIKey:
RPPTVYMVSNHGRG-UHFFFAOYSA-N

Cite this record

CBID:295218 http://www.chembase.cn/molecule-295218.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bicyclo[1.1.1]diboroxane
IUPAC Traditional name
bicyclo[1.1.1]diboroxane
Synonyms
Boric anhydride
Boron oxide
Boron oxide, Puratronic®
Boron oxide, Puratronic®, (H2O 200ppm)
氧化硼
Boron oxide, Puratronic?, (H2O 200ppm)
氧化硼, Puratronic®
氧化硼, Puratronic®, (H2O 200ppm)
CAS Number
1303-86-2
EC Number
215-125-8
MDL Number
MFCD00011315
Merck Index
141337
PubChem SID
180680749
PubChem CID
11073337

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0136  LogD (pH = 7.4) 3.0136 
Log P 3.0136  Molar Refractivity 4.0506 cm3
Polarizability 5.4224143 Å3 Polar Surface Area 27.69 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Slightly soluble in water @ 25 C. Soluble in water @ 100 C expand Show data source
Apperance
-60 Mesh expand Show data source
Cylinder, 3.7cm dia, 32g/cylinder expand Show data source
Cylinder, 5.0cm dia, 55g/cylinder expand Show data source
Fused Lump, Approx. 1.0in dia x 0.75in thick expand Show data source
Powder expand Show data source
Melting Point
ca 450°C expand Show data source
Boiling Point
1860°C expand Show data source
Density
2.46 expand Show data source
2.46 ^+ 0.01 expand Show data source
Storage Warning
Hygroscopic expand Show data source
RTECS
ED7900000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
Risk Statements
60-61 expand Show data source
Safety Statements
53-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS Hazard statements
H360 expand Show data source
GHS Precautionary statements
P201-P308+P313 expand Show data source
Purity
97.5% min, typically 98.5% expand Show data source
99% expand Show data source
99.98% (metals basis) expand Show data source
99.999% (metals basis) expand Show data source
99.999% (metals basis) expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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