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Molecule
ID:126031
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
BaI₂
Molecular Mass
391.13594
Exact Mass
391.714193
Charge
0
InChI
InChI=1S/Ba.2HI/h;2*1H/q+2;;/p-2
InChIKey
SGUXGJPBTNFBAD-UHFFFAOYSA-L
Canonic Smiles
[I-].[I-].[Ba+2]
Isomeric Smiles
[Ba+2].[I-].[I-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.2409753
LogD (pH = 7.4)
1.2409753
Log P
1.0205557
Molar Refractivity
13.9462
Polarizability
5.349007
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Acid pKa
-9.0
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
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Academic Data
•
Commercial Catalog
Names and Identifiers
•
Synonyms
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IUPAC Traditional name
•
IUPAC name
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Properties
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Physical Property
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Safety Information
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Product Information
Related Proteins
Molecular Spectra
Molecule Details
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Academic Data
Wikipedia
Barium_iodide
PubChem
5462836
Commercial Catalog
Alfa Aesar
35679
Names and Identifiers
Synonyms
Barium iodide
anhydrous
Barium iodide
Barium iodide, ultra dry
碘化钡, 超干
IUPAC Traditional name
barium(2+) ion diiodide
IUPAC name
barium(2+) ion diiodide
Registration numbers
PubChem CID
5462836
Wikipedia Title
Barium_iodide
Chemspider ID
75507
CAS Number
13718-50-8
PubChem SID
162220373
EC Number
237-276-9
Merck Index
14980
MDL Number
MFCD00003452
Molecule Details
Wikipedia
Barium_iodide
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
PubChem CID
•
Wikipedia Title
•
Chemspider ID
•
CAS Number
•
PubChem SID
•
EC Number
•
Merck Index
•
MDL Number
Properties
Physical Property
Melting Point
711°C (anhydrous)
decomposes at 740°C (dihydrate)
Source
740°C
Source
Solubility
221 g/100 mL in water
Source
soluble in ethanol, acetone
Source
Apperance
White orthorhombic crystals (anhydrous) colorless crystals (dihydrate)
Source
-10 Mesh Beads, Ampouled under argon
Source
Std enthalpy of formation
-602.1 kJ·mol
-1
Source
Density
5.15 g/cm
3
(anhydrous)
5.0 g/cm
3
(dihydrate)
Source
5.15
Source
Safety Information
Main Hazard
toxic
Source
GHS Precautionary statements
P261
-
P264
-
P304+P340
-
P301+
P312
-
P312
-P501A
Source
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
是
Source
20/22
Source
Harmful (X)
28
Source
Light Sensitive & Hygroscopic
Source
H302
-
H332
Source
6.1
Source
III
Source
UN1564
Source
Product Information
Purity
99.995% (metals basis)
Source
Source
Source
GHS Pictograms
TSCA Listed
Risk Statements
European Hazard Symbols
Safety Statements
Storage Warning
GHS Hazard statements
Hazard Class
Packing Group
UN Number