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Molecule
ID:126558
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
CrKO₈S₂
Molecular Mass
283.2196
Exact Mass
282.80767314
Charge
0
InChI
InChI=1S/Cr.K.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4
InChIKey
OIDPCXKPHYRNKH-UHFFFAOYSA-J
Canonic Smiles
[K]OS(=O)(=O)O[Cr]1OS(=O)(=O)O1
Isomeric Smiles
[K]OS(=O)(=O)O[Cr]1OS(=O)(=O)O1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.1274
LogD (pH = 7.4)
-0.1274
Log P
-0.1274
Molar Refractivity
22.684
Polarizability
17.798904
Polar Surface Area
105.2
Rotatable Bonds
3
Lipinski's Rule of Five
true
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General Information
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Chrome_alum
PubChem
71308176
Names and Identifiers
Synonyms
Chrome alum
Chromium alum
IUPAC name
dioxo-1,3-dioxa-2λ
6
-thia-4-chromacyclobutan-4-yl potassium sulfate
IUPAC Traditional name
chrome alum
Registration numbers
EC Number
233-401-6
MeSH Name
chrome+alum
CAS Number
10141-00-1
Wikipedia Title
Chrome_alum
Chemspider ID
19968602
PubChem CID
61489
71308176
PubChem SID
162220890
Molecule Details
Wikipedia
Chrome_alum
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
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EC Number
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CAS Number
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Wikipedia Title
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Chemspider ID
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PubChem CID
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PubChem SID
Properties
Physical Property
Melting Point
89°C
Source
Apperance
dark drown needles
Source
Boiling Point
400°C
Source
Density
1.83 g cm
-3
Source
Solubility
2.440 kg kg
-1
in water
Source
Safety Information
Irritant (Xi)
Source
Safety Statements
S
26
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
Risk Statements
R
36/37/38
Source
RTECS
GB6845000
Source
GHS Signal Word
WARNING
Source
GHS Precautionary statements
305+351+338
Source
GHS Hazard statements
315,319
Source
European Hazard Symbols