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26124-86-7 molecular structure
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barium(2+) ion hydrate dioxoborinate

ChemBase ID: 137954
Molecular Formular: B2BaH4O5
Molecular Mass: 242.97776
Monoisotopic Mass: 243.92973103
SMILES and InChIs

SMILES:
[BH](=O)[O-].[BH](=O)[O-].O.[Ba+2]
Canonical SMILES:
[O-][BH]=O.[O-][BH]=O.O.[Ba+2]
InChI:
InChI=1S/2BO2.Ba.H2O/c2*2-1-3;;/h;;;1H2/q2*-1;+2;
InChIKey:
JXOXZJCHHKIXMI-UHFFFAOYSA-N

Cite this record

CBID:137954 http://www.chembase.cn/molecule-137954.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
barium(2+) ion hydrate dioxoborinate
IUPAC Traditional name
barium(2+) ion hydrate diboron oxide hydroxide
Synonyms
Barium metaborate monohydrate
偏硼酸钡 一水合物
CAS Number
26124-86-7
MDL Number
MFCD00717540
PubChem SID
162232214
PubChem CID
23165673

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
433454 external link Add to cart Please log in.
Data Source Data ID
PubChem 23165673 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.0514  LogD (pH = 7.4) -2.0514 
Log P 0.2124  Molar Refractivity 2.8858 cm3
Polarizability 2.9952743 Å3 Polar Surface Area 40.13 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
UN Number
1564 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
20/22 expand Show data source
Safety Statements
28.1 expand Show data source
RID/ADR
UN 1564 6.1/PG 3 expand Show data source
Purity
97% expand Show data source
Linear Formula
Ba(BO2)2·H2O expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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