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12230-71-6 molecular structure
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bariumdiol octahydrate

ChemBase ID: 104129
Molecular Formular: BaH18O10
Molecular Mass: 315.46392
Monoisotopic Mass: 315.99524378
SMILES and InChIs

SMILES:
O.O.O.O.O.O.O.O.O[Ba]O
Canonical SMILES:
O[Ba]O.O.O.O.O.O.O.O.O
InChI:
InChI=1S/Ba.10H2O/h;10*1H2/q+2;;;;;;;;;;/p-2
InChIKey:
ZUDYPQRUOYEARG-UHFFFAOYSA-L

Cite this record

CBID:104129 http://www.chembase.cn/molecule-104129.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bariumdiol octahydrate
IUPAC Traditional name
bariumdiol octahydrate
Synonyms
BARIUM HYDROXIDE
Barium hydroxide octahydrate
氢氧化钡 八水合物
CAS Number
12230-71-6
EC Number
241-234-5
MDL Number
MFCD00149152
PubChem SID
24891652
24853019
162092433
24858505
PubChem CID
16211571

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.468443  H Acceptors
H Donor LogD (pH = 5.5) -1.2724 
LogD (pH = 7.4) -1.2724  Log P -1.2724 
Molar Refractivity 5.1292 cm3 Polarizability 8.04778 Å3
Polar Surface Area 40.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
78 °C(lit.) expand Show data source
78°C expand Show data source
Density
2.180 g/ml expand Show data source
Storage Condition
Room Temperature (15-30°C), Store Under Nitrogen expand Show data source
RTECS
CQ9200000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1564 expand Show data source
3262 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
8 expand Show data source
Packing Group
2 expand Show data source
III expand Show data source
Australian Hazchem
2Z expand Show data source
Risk Statements
20/21-34 expand Show data source
R:34-20/22 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
S:28-46-36/37/39 expand Show data source
EU Classification
T5 expand Show data source
EU Hazard Identification Number
6.1B expand Show data source
Emergency Response Guidebook(ERG) Number
154 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H314-H332 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3262 8/PG 2 expand Show data source
Purity
≥97.0% expand Show data source
≥98% expand Show data source
≥98.0% expand Show data source
≥98.0% (T) expand Show data source
Grade
ACS reagent expand Show data source
JIS special grade expand Show data source
puriss. expand Show data source
puriss. p.a. expand Show data source
purum p.a. expand Show data source
reag. ISO, reag. Ph. Eur. expand Show data source
SAJ first grade expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
≤0.001% heavy metals (as Pb) expand Show data source
≤0.005% insoluble in acid expand Show data source
≤0.01% insol. dil. HCl expand Show data source
≤0.01% insoluble in HCl expand Show data source
≤0.2% substances not precipitated by H2SO4 (as SO4) expand Show data source
≤2% BaCO3 expand Show data source
≤2% barium carbonate expand Show data source
≤2.0% barium carbonate expand Show data source
Cation Traces
Ca: ≤0.05% expand Show data source
Ca: ≤300 mg/kg expand Show data source
Ca: ≤50 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Cu: ≤50 mg/kg expand Show data source
Fe: ≤0.001% expand Show data source
Fe: ≤10 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
Fe: ≤50 mg/kg expand Show data source
heavy metals (as Pb): ≤5 ppm expand Show data source
K: ≤0.01% expand Show data source
K: ≤100 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Mg: ≤20 mg/kg expand Show data source
Na: ≤0.01% expand Show data source
Na: ≤1000 mg/kg expand Show data source
Na: ≤50 mg/kg expand Show data source
Ni: ≤50 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Pb: ≤50 mg/kg expand Show data source
Sr: ≤0.8% expand Show data source
Sr: ≤1.5% expand Show data source
Zn: ≤5 mg/kg expand Show data source
Zn: ≤50 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤0.001% expand Show data source
chloride (Cl-): ≤10 mg/kg expand Show data source
chloride (Cl-): ≤100 mg/kg expand Show data source
chloride (Cl-): ≤50 mg/kg expand Show data source
S2-: ≤0.001% expand Show data source
sulfide (S2-): ≤10 mg/kg expand Show data source
sulfide (S2-): ≤5 mg/kg expand Show data source
Quality
crystallized expand Show data source
Linear Formula
Ba(OH)2 · 8H2O expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 11781 external link
Application
Catalyzes the β-elimination of phosphoserine residues.
Sigma Aldrich - 31127 external link
Application
Catalyzes the β-elimination of phosphoserine residues.
Sigma Aldrich - 217573 external link
Application
Catalyzes the β-elimination of phosphoserine residues.
Packaging
100, 500 g in poly bottle
2.5 kg in poly bottle
Sigma Aldrich - B2507 external link
Application
催化磷酸丝氨酸残基的 β-消去反应。
包装
1 kg in poly bottle
100, 500 g in poly bottle
Sigma Aldrich - 03-0360 external link
Application
Catalyzes the β-elimination of phosphoserine residues.
Sigma Aldrich - 03-0350 external link
Application
Catalyzes the β-elimination of phosphoserine residues.
Sigma Aldrich - 11415 external link
Application
Catalyzes the β-elimination of phosphoserine residues.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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