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7784-13-6 molecular structure
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aluminium(3+) ion hexahydrate trichloride

ChemBase ID: 295323
Molecular Formular: AlCl3O6
Molecular Mass: 229.336938
Monoisotopic Mass: 227.85758439
SMILES and InChIs

SMILES:
O.O.O.O.O.O.[AlH3+3].[Cl-].[Cl-].[Cl-]
Canonical SMILES:
O.O.O.O.O.O.[AlH3+3].[Cl-].[Cl-].[Cl-]
InChI:
InChI=1S/Al.3ClH.6H2O/h;3*1H;6*1H2/q+3;;;;;;;;;/p-3
InChIKey:
JGDITNMASUZKPW-UHFFFAOYSA-K

Cite this record

CBID:295323 http://www.chembase.cn/molecule-295323.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
aluminium(3+) ion hexahydrate trichloride
IUPAC Traditional name
aluminium(3+) ion hexahydrate trichloride
Synonyms
Aluminum chloride hexahydrate, Puratronic®
Aluminum chloride hexahydrate
Aluminum chloride hexahydrate, Reagent Grade
六水合氯化铝, Puratronic®
六水合氯化铝
六水合氯化铝,试剂级
CAS Number
7784-13-6
EC Number
231-208-1
MDL Number
MFCD00149134
Merck Index
14337
PubChem SID
180680854
PubChem CID
9794789

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 9794789 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.7  H Acceptors
H Donor LogD (pH = 5.5) -0.652 
LogD (pH = 7.4) -0.652  Log P -0.652 
Molar Refractivity 3.7 cm3 Polarizability 1.4714895 Å3
Polar Surface Area 25.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Soluble in water , alcohol, ether, glycerol, propylene glycol expand Show data source
Apperance
Crystalline expand Show data source
Crystalline Aggregates expand Show data source
Melting Point
100°C dec. expand Show data source
Density
2.398 expand Show data source
RTECS
BD0530000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3260 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
III expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
26-36/37/39-45-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318-H303 expand Show data source
GHS Precautionary statements
P280-P303+P361+P353-P305+P351+P338-P310 expand Show data source
Purity
99% expand Show data source
99.9995% (metals basis) expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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