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Molecule
ID:135495
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
Br₂Ca
Molecular Mass
199.886
Exact Mass
197.79926498
Charge
0
InChI
InChI=1S/2BrH.Ca/h2*1H;/q;;+2/p-2
InChIKey
WGEFECGEFUFIQW-UHFFFAOYSA-L
Canonic Smiles
Br[Ca]Br
Isomeric Smiles
[Ca](Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.3702
LogD (pH = 7.4)
1.3702
Log P
1.3702
Molar Refractivity
17.4704
Polarizability
9.754955
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
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
No Data Available
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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
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
IUPAC name
•
Synonyms
•
IUPAC Traditional name
Registration numbers
•
CAS Number
•
PubChem SID
•
MDL Number
•
PubChem CID
Properties
•
Safety Information
•
Product Information
•
Physical Property
Related Proteins
Molecular Spectra
Molecule Details
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Sigma Aldrich
338885
413631
Academic Data
PubChem
24608
Names and Identifiers
IUPAC name
dibromocalcium
Synonyms
溴化钙
Calcium bromide
Hydrobromic acid calcium salt
IUPAC Traditional name
dibromocalcium
Registration numbers
CAS Number
7789-41-5
PubChem SID
24865875
162229769
MDL Number
MFCD00010902
PubChem CID
24608
Properties
Safety Information
GHS Pictograms
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
Source
MSDS Link
Download link
Source
Download link
Source
Risk Statements
36
Source
German water hazard class
3
Source
GHS Signal Word
Warning
Source
GHS Hazard statements
H315
Source
European Hazard Symbols
Irritant (Xi)
Source
Safety Statements
26
Source
Product Information
Linear Formula
CaBr2
Source
Impurities
<2% water
Source
Purity
96%
Source
99.98% trace metals basis
Source
Particle Size
-10 mesh
Source
Grade
anhydrous
Source
Physical Property
Boiling Point
1815 °C/1 atm(lit.)
Source
Solubility
ethanol: slightly soluble
Source
acetone: slightly soluble
Source
Density
3.353 g/mL at 25 °C(lit.)
Source
Melting Point
742 °C(lit.)
Source
Apperance
beads
Source
Molecule Details
Sigma Aldrich
413631
Packaging
1, 5 g in ampule
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay