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Molecule
ID:112033
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
[Ca+2].[Br-].[Br-]
Isomeric Smiles
[Ca+2].[Br-].[Br-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-0.57
LogD (pH = 7.4)
-0.57
Log P
-0.57
Molar Refractivity
0.0
Polarizability
2.7365203
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Acid pKa
3.09
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
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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
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RDKit
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JChem
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Academic Data
Names and Identifiers
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IUPAC Traditional name
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IUPAC name
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Synonyms
Registration numbers
Properties
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Safety Information
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Product Information
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Physical Property
Related Proteins
Molecular Spectra
Molecule Details
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MP Biomedicals
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Wikipedia
References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
MP Biomedicals
05222266
Alfa Aesar
87893
35684
Academic Data
Wikipedia
Calcium_bromide
PubChem
5360316
Names and Identifiers
IUPAC Traditional name
calcium(2+) dibromide
calcium dibromide
IUPAC name
calcium dibromide
Synonyms
CALCIUM BROMIDE
Calcium dibromide
Calcium bromide, anhydrous
溴化钙, 无水
Calcium bromide, ultra dry
溴化钙, 超干
Registration numbers
EC Number
232-164-6
CAS Number
7789-41-5
PubChem CID
5360316
24608
PubChem SID
162098205
Wikipedia Title
Calcium_bromide
Unique Ingredient Identifier
87CNY2EEBH
CHEBI ID
31338
Chemspider ID
23010
Merck Index
141654
MDL Number
MFCD00010902
Molecule Details
MP Biomedicals
05222266
MP Biomedicals Rare Chemical collection
Wikipedia
Calcium_bromide
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
EC Number
•
CAS Number
•
PubChem CID
•
PubChem SID
•
Wikipedia Title
•
Unique Ingredient Identifier
•
CHEBI ID
•
Chemspider ID
•
Merck Index
•
MDL Number
Properties
Safety Information
RTECS
EV9328000
Source
MSDS Link
Download link
Source
LD50
4100 mg/kg (rat, oral)
1580 mg/kg (mouse, subcutaneous)
Source
Main Hazard
Decomposes on heating at high temperature producing toxic and corrosive fumes
Source
NFPA704
0
1
0
Source
TSCA Listed
是
Source
GHS Precautionary statements
P261
-
P305+P351+P338
-
P302+P352
-
P321
-
P405
-P501A
Source
GHS Hazard statements
H315
-
H319
-
H335
Source
European Hazard Symbols
Irritant (Xi)
Source
Risk Statements
36/37/38
Source
Safety Statements
26
-
37
-
60
Source
Storage Warning
Hygroscopic
Source
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
Product Information
Certificate of Analysis
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Source
Purity
99.978% (metals basis)
Source
99.5%
Source
Physical Property
Melting Point
730°C
Source
730 °C
Source
730°C
Source
Solubility
125 g/100 mL (0 °C)
143 g/100 ml (20°C)
312 g/100 mL (100 °C) in water
Source
soluble in alcohol, acetone
Source
Freely soluble in water, methanol, ethanol. Soluble in acetone. Insoluble in dioxane, chloroform, ether
Source
3.353 g/cm
3
Source
3.353
Source
1935 °C (anhydrous)
810 °C (dihydrate)
Source
806-812°C
Source
Odorless, very hygroscopic colorless crystals
sharp saline taste
Source
-10 Mesh Beads, Ampouled under argon
Source
-80 Mesh Powder
Source
9
Source
Density
Boiling Point
Apperance
p𝘒ₐ