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| CAS No.: | 38721-52-7 |
|---|---|
| Name: | Lithium triisobutylhydroborate |
| Molecular Structure: | |
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|
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| Formula: | C12H28BLi |
| Molecular Weight: | 190.10 |
| Synonyms: | Borate(1-),hydrotris(1-methylpropyl)-, lithium, (T-4)- (9CI);L-Selectride;Lithiumhydrotri-s-butylborate;Lithium selectride;Lithium tri(s-butyl)borohydride;Lithium tri-sec-butylborohydride;Lithium tri-sec-butylhydroborate(1-);Lithiumtris(s-butyl)hydroborate(1-);Lithium tris(sec-butyl)borohydride; |
| EINECS: | 254-101-1 |
| Density: | 0.89 g/mL at 25 °C |
| Flash Point: | 1 °F |
| Solubility: | reacts |
| Appearance: | clear colourless solution |
| Hazard Symbols: |
 F,  C
|
| Risk Codes: | 11-14/15-17-34-35-19 |
| Safety: | 16-26-36/37/39-43-45-7/8-30 |
| Transport Information: | UN 3394 4.2/PG 1 |
| PSA: | 0.00000 |
| LogP: | 4.61380 |
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Specification
The Lithium triisobutylhydroborate is an organic compound with the formula C12H28BLi. The IUPAC name of this chemical is lithium hydrido[tris(1-methylpropyl)]borate(1-). With the CAS registry number 38721-52-7, it is also named as borate(1-), hydrotris(1-methylpropyl)-, lithium (1:1). The product's categories are B (Classes of Boron Compounds); Classes of Metal Compounds; Li (Lithium) Compounds; Reduction; Synthetic Organic Chemistry; Tetrahydroborates; Typical Metal Compounds. Besides, it should be stored in a closed cool and dry place.
When you are using this chemical, please be cautious about it as the following:
It is highly flammable and spontaneously flammable in air. please keep container tightly closed and dry. It reacts violently with water, liberating extremely flammable gases and 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 can cause burns. When you are using it, wear suitable gloves and eye/face protection. 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: [Li+].C([BH-](C(CC)C)C(C)CC)(C)CC
(2)InChI: InChI=1/C12H28B.Li/c1-7-10(4)13(11(5)8-2)12(6)9-3;/h10-13H,7-9H2,1-6H3;/q-1;+1
(3)InChIKey: ACJKNTZKEFMEAK-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C12H28B.Li/c1-7-10(4)13(11(5)8-2)12(6)9-3;/h10-13H,7-9H2,1-6H3;/q-1;+1
(5)Std. InChIKey: ACJKNTZKEFMEAK-UHFFFAOYSA-N