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12004-78-3 molecular structure
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(dialumanylidynetitaniumylidyne)alumane

ChemBase ID: 303107
Molecular Formular: Al3H6Ti
Molecular Mass: 134.859254
Monoisotopic Mass: 134.93951238
SMILES and InChIs

SMILES:
[AlH2]#[Ti](#[AlH2])#[AlH2]
Canonical SMILES:
[AlH2]#[Ti](#[AlH2])#[AlH2]
InChI:
InChI=1S/3Al.Ti
InChIKey:
OQPDWFJSZHWILH-UHFFFAOYSA-N

Cite this record

CBID:303107 http://www.chembase.cn/molecule-303107.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(dialumanylidynetitaniumylidyne)alumane
IUPAC Traditional name
(dialumanylidynetitaniumylidyne)alumane
Synonyms
Titanium aluminide
铝化钛
CAS Number
12004-78-3
EC Number
234-461-6
MDL Number
MFCD00054094

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Alfa Aesar 22895 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.6  LogD (pH = 7.4) -0.6 
Log P -0.6  Molar Refractivity 0.0 cm3
Polarizability 9.378679 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
-325 Mesh Powder, Intermetallic expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
UN3178 expand Show data source
Hazard Class
4.1 expand Show data source
Packing Group
II expand Show data source
Risk Statements
11-36/37/38 expand Show data source
Safety Statements
26 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Hazard statements
H228-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Purity
99.5% (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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