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| CAS No.: | 2049-55-0 |
|---|---|
| Name: | BORANE-TRIPHENYLPHOSPHINE COMPLEX |
| Article Data: | 35 |
| Molecular Structure: | |
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| Formula: | C18H18BP |
| Molecular Weight: | 276.126 |
| Synonyms: | Borane triphenylphosphine complex;TriphenylphosphinBorane; |
| Melting Point: | 189-191 °C(lit.) |
| Boiling Point: | 360 °C at 760 mmHg |
| Flash Point: | 181.7 °C |
| Appearance: | white crystals with an unpleasant smell |
| PSA: | 13.59000 |
| LogP: | 2.26090 |
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Specification
The Borane triphenylphosphine complex with the CAS number 2049-55-0 is also called Phosphine, triphenyl-, compd. with borane (7CI). The systematic name is borane - triphenylphosphane (1:1). Its molecular formula is C18H18BP. This chemical belongs to the following product categories: (1)B (Classes of Boron Compounds); (2)Boranes. It is white crystals with an unpleasant smell.
The properties of the Borane triphenylphosphine complex are: (1)ACD/LogP: 5.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.69; (4)ACD/LogD (pH 7.4): 5.69; (5)ACD/BCF (pH 5.5): 12427.96; (6)ACD/BCF (pH 7.4): 12427.96; (7)ACD/KOC (pH 5.5): 29672.91; (8)ACD/KOC (pH 7.4): 29672.91; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 13.59 Å2; (13)Enthalpy of Vaporization: 58.18 kJ/mol; (14)Vapour Pressure: 4.74×10-5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c3c(P(c1ccccc1)c2ccccc2)cccc3.B
(2)InChI: InChI=1/C18H15P.BH3/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;1H3
(3)InChIKey: CHVBILDTVBDARQ-UHFFFAOYAR