CAS No.17476-04-9,Lithium tri-tert-butoxyaluminum hydride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	17476-04-9
Name:	Lithium tri-tert-butoxyaluminum hydride

Formula:	C₁₂H₂₈AlLiO₃
Molecular Weight:	254.27
Synonyms:	Aluminate(1-),hydrotris(2-methyl-2-propanolato)-, lithium, (T-4)- (9CI);Aluminate(1-),tri-tert-butoxyhydro-, lithium (8CI);Lithium hydrotri-tert-butoxyaluminate(7CI);2-Propanol, 2-methyl-, aluminum complex;Lithiumtri(tert-butoxy)hydroaluminate(1-);Lithium tri-tert-butoxyaluminiohydride;Lithium tri-tert-butoxyaluminohydride;Lithium tri-tert-butoxyaluminum hydride;Lithium tri-tert-butoxyhydroaluminate;Lithium tris(tert-butoxy)aluminumhydride;Tri-tert-butoxyaluminumlithium hydride;
EINECS:	241-490-8
Density:	0.942 g/mL at 25 °C
Melting Point:	300-319 °C (dec.)(lit.)
Boiling Point:	84.6ºC at 760 mmHg
Flash Point:	95°F
Solubility:	Reacts with water.
Appearance:	white powder
Hazard Symbols:	F, C
Risk Codes:	60-61-10-14/15-19-34-14-11-15-35
Safety:	53-26-36/37/39-43-45-16-43B-6A
Transport Information:	UN 3399 4.3/PG 1
PSA:	27.69000
LogP:	3.90990

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

ACGIH TLV: TWA 2 mg(Al)/m³

Specification

The Lithium aluminum tri-tert-butoxyhydride is an organic compound with the formula C₁₂H₂₈AlLiO₃. The IUPAC name of this chemical is aluminum; lithium; 2-methylpropan-2-olate. With the CAS registry number 17476-04-9, it is also named as Lithium tri-tert-butoxyaluminum hydride. The product's categories are Al (Alminum) Compounds; Classes of Metal Compounds; Li (Lithium) Compounds; Reduction; Synthetic Organic Chemistry; Typical Metal Compounds; Aluminum Hydrides; Synthetic Reagents. Besides, it is a white powder, which should be stored in a closed dark and well-ventilated place.

Physical properties about Lithium aluminum tri-tert-butoxyhydride are: (1)#H bond acceptors: 3; (2)#Freely Rotating Bonds: 7; (3)Polar Surface Area: 27.69 Å².

When you are using this chemical, please be cautious about it as the following:
It is highly flammable and can cause burns. It reacts violently with water, liberating extremely flammable gases and may form explosive peroxides. Please keep away from sources of ignition - No smoking. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical may impair fertility and may cause harm to the unborn child. When you are using it, wear suitable gloves and eye/face protection and avoid exposure - obtain special instructions before use. In case of fire use ... (indicate in the space the precise type of fire-fighting equipment. If water increases the risk add - Never use water). In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)O[Al]([Li])(OC(C)(C)C)OC(C)(C)C
(2)InChI: InChI=1/3C4H9O.Al.Li.H/c3*1-4(2,3)5;;;/h3*1-3H3;;;/q3*-1;+3;;/rC12H28AlLiO3/c1-10(2,3)15-13(14,16-11(4,5)6)17-12(7,8)9/h13H,1-9H3
(3)InChIKey: IVEFUNPTURRNIK-XDHZHLQIAV
(4)Std. InChI: InChI=1S/3C4H9O.Al.Li.H/c3*1-4(2,3)5;;;/h3*1-3H3;;;/q3*-1;+3;;
(5)Std. InChIKey: IVEFUNPTURRNIK-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	32mg/kg (32mg/kg)		U.S. Army Armament Research & Development Command, Chemical