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| CAS No.: | 1116-73-0 |
|---|---|
| Name: | TRI-N-HEXYL ALUMINUM |
| Article Data: | 13 |
| Molecular Structure: | |
|
|
|
| Formula: | C18H39 Al |
| Molecular Weight: | 282.489 |
| Synonyms: | Tri-n-hexylaluminum;Tri-n-hexylaluminum (Al(C6H13)3); Trihexylalane; Trihexylaluminum |
| EINECS: | 214-241-6 |
| Density: | g/cm3 |
| Melting Point: | -87oC |
| Boiling Point: | 68.5 °C at 760 mmHg |
| Flash Point: | °C |
| Appearance: | clear colorless solution |
| Hazard Symbols: |
 N C F
|
| Risk Codes: | 67-65-62-51/53-48/20-34-14/15-11 |
| Safety: | 6A-61-45-43B-36/37/39-24/25-16 |
| PSA: | 0.00000 |
| LogP: | 7.60290 |
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- 16853-85-3
lithium aluminium tetrahydride
- 592-41-6
1-hexene
- 2674-15-9
di(n-hexyl)aluminum chloride
- 1116-73-0
trihexylaluminium
| Conditions | Yield |
|---|---|
| In n-heptane byproducts: LiCl; LiAlH4 loaded in a vertical-type ball mill under Ar or N2; heptane added; mixt. agitated for 15 min at 70°C; mixt. of (C6H13)2AlCl with hex-1-ene (LiAlH4:(C6H13)2AlCl:hex-1-ene=1.1:1.0:4.5) added; mixt. agitated for 1.5 h at 90°C; cooled; filtered under Ar; solvent and olefin removed (vac., 10 Torr) at60-70°C; elem. anal.; | 95% |
| Conditions | Yield |
|---|---|
| With triisobutylaluminum In hexane (N2); heating (autoclave, 140°C, 1 h, 120°C, 8 h); distn.; elem. anal.; | 89.1% |
| With NaAlEt4 In toluene under N2 or Ar; mixt. of AlH3, NaAlEt4, olefin (3.8 equiv.) and toluene heated at reflux; after 20 min temp. raised from 80 to 100°C and gradually decreased to 70-80°C; 2 h; cooled; filtered; ppt. washed with hexane; solvent and excess olefin removed in vac. at 60-80°C (7 Torr); elem. anal.; |
| Conditions | Yield |
|---|---|
| Stage #1: 3-hexene; tri-n-propylaluminum at 70℃; under 760.051 Torr; Heating / reflux; Stage #2: cobalt(III) acetylacetonate In toluene for 2h; Stage #3: With hydrogenchloride | 6.1% |
| Conditions | Yield |
|---|---|
| With aluminium hydride | |
| With lithium aluminium tetrahydride |
| Conditions | Yield |
|---|---|
| With aluminium trichloride In dichloromethane for 1h; Product distribution; Ambient temperature; other reaction time; other reagent: ZnCl2; other molecular proportion.; | 90% |
| With aluminium trichloride In dichloromethane for 1h; Ambient temperature; | 90% |
| Conditions | Yield |
|---|---|
| With iron(III) chloride In various solvent(s) at 40℃; for 15h; | A 86% B n/a |
| Conditions | Yield |
|---|---|
| With aluminium trichloride In dichloromethane for 1h; Product distribution; Ambient temperature; other molecular proportion.; | 84% |
| With aluminium trichloride In dichloromethane for 1h; Ambient temperature; | 84% |
| Conditions | Yield |
|---|---|
| In toluene at -5 - 50℃; for 7h; Inert atmosphere; | 81.8% |
| In toluene at -5 - 50℃; for 7h; Inert atmosphere; | 81.8% |
| Conditions | Yield |
|---|---|
| With dilithium tetrachlorocuprate; triphenylphosphine In octane at 50℃; for 5h; | 78% |
| Conditions | Yield |
|---|---|
| Stage #1: 1-hexene; trihexylaluminium With zirconocene dichloride In hexane at 0 - 20℃; Stage #2: butyraldehyde With copper(l) chloride In hexane at -15 - 20℃; | 78% |
- Total:36 Page 1 of 1 1
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Chemistry
Molecular structure of Tri-n-hexylaluminium (CAS NO.1116-73-0) is:
Product Name: Tri-n-hexylaluminium
CAS Registry Number: 1116-73-0
IUPAC Name: Trihexylalumane
Molecular Weight: 282.483798 [g/mol]
Molecular Formula: C18H39Al
H-Bond Donor: 0
H-Bond Acceptor: 0
EINECS: 214-241-6
Density: 0.686 g/cm3
Storage temp.: Flammables + water-Freezer (-20 °C)e area
Product Categories: Organometallics
Canonical SMILES: CCCCCC[Al](CCCCCC)CCCCCC
InChI: InChI=1S/3C6H13.Al/c3*1-3-5-6-4-2;/h3*1,3-6H2,2H3;
InChIKey: ORYGRKHDLWYTKX-UHFFFAOYSA-N
Safety Profile
Safty information about Tri-n-hexylaluminium (CAS NO.1116-73-0) is:
Hazard Codes: 
N; 
C; 
F
Risk Statements: 67-65-62-51/53-48/20-34-14/15-11
R67:Vapours may cause drowsiness and dizziness.
R65:Harmful: may cause lung damage if swallowed.
R62:Risk of impaired fertility.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R48/20:Danger of serious damage to health by prolonged exposure and harmful by inhalation.
R34:Causes burns.
R14/15 :Reacts violently with water and contact with water liberates extremely flammable gases.
R11:Highly flammable.
Safety Statements: 6A-61-45-43B-36/37/39-24/25-16
S6:Keep under ... (there follows the name of an inert gas).
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S43:In case of fire use ... (there follows the type of fire-fighting equipment to be used.)
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S24/25:Avoid contact with skin and eyes.
S16:Keep away from sources of ignition.
RIDADR: 3051
HazardClass: 4.2
PackingGroup: I
Specification
Tri-n-hexylaluminium , its cas register number is 1116-73-0. It also can be called Trihexylalane ; Aluminum, trihexyl- ; Trihexylaluminium .It is a clear colorless solution.