Basic information
- Name:
Phosphine,tris(1,1-dimethylethyl)-
- Superlist Name:
- Tri-tert-butylphosphine
- CAS No.:
13716-12-6
- Molecular Structure:
- Formula:
- C12H27P
- Molecular Weight:
- 202.316541
- Synonyms:
- Phosphine,tri-tert-butyl- (7CI,8CI);Tris(1,1-dimethylethyl)phosphine;Tris(tert-butyl)phosphine;
- EINECS:
- 237-266-4
- Density:
- 0.861 g/mL at 25 °C
- Melting Point:
- 30-35 °C(lit.)
- Boiling Point:
- 229.4 °C at 760 mmHg
- Flash Point:
- 94.6 °C
- Appearance:
- Colorless to light yellow liquid
- Hazard Symbols:
F,
C- Risk Codes:
- 17-34-67-65-63-48/20-11
- Safety Description:
- 26-45-62-36/37/39-25-43-27-16 Details
- Transport Information:
- UN 2846 4.2/PG 1
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Specification
The Tri-tert-butylphosphine, with the CAS registry number 13716-12-6, is also known as tri-t-Butylphosphine. It belongs to the product categories of Phosphines; Pharmacetical; Ligand; API intermediates; Mitsunobu Reaction; Phosphine Ligands; Phosphines (Mitsunobu Reaction); Synthetic Organic Chemistry; Basic Phosphine Ligands Catalysis and Inorganic Chemistry; Catalysis and Inorganic Chemistry; Cross-Coupling; Phosphine Ligands; Phosphorus Compounds. Its EINECS registry number is 237-266-4. This chemical's molecular formula is C12H27P and molecular weight is 202.32. Its IUPAC name is called tritert-butylphosphane.
Physical properties of Tri-tert-butylphosphine: (1)ACD/LogP: 4.50; (2)ACD/LogD (pH 5.5): 4.5; (3)ACD/LogD (pH 7.4): 4.5; (4)ACD/BCF (pH 5.5): 1555.62; (5)ACD/BCF (pH 7.4): 1555.62; (6)ACD/KOC (pH 5.5): 6704.43; (7)ACD/KOC (pH 7.4): 6704.43; (8)#Freely Rotating Bonds: 3; (9)Flash Point: 94.6 °C; (10)Enthalpy of Vaporization: 44.71 kJ/mol; (11)Boiling Point: 229.4 °C at 760 mmHg; (12)Vapour Pressure: 0.105 mmHg at 25°C.
Uses of Tri-tert-butylphosphine: it can be used to produce Difluoro(tri-t-butyl)phosphoran. This reaction will need reagent SbF3.
When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, 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)Canonical SMILES: CC(C)(C)P(C(C)(C)C)C(C)(C)C
(2)InChI: InChI=1S/C12H27P/c1-10(2,3)13(11(4,5)6)12(7,8)9/h1-9H3
(3)InChIKey: BWHDROKFUHTORW-UHFFFAOYSA-N