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CAS No.: | 13991-08-7 |
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Name: | 1,2-BIS(DIPHENYLPHOSPHINO)BENZENE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C30H24P2 |
Molecular Weight: | 446.468 |
Synonyms: | Phosphine,1,2-phenylenebis[diphenyl- (9CI);Phosphine, o-phenylenebis[diphenyl-(6CI,8CI);1,2-Bis(diphenylphosphanyl)benzene;1,2-Bis(diphenylphosphino)benzene;o-Bis(diphenylphosphino)benzene;o-Phenylenebis[diphenylphosphine]; |
Melting Point: | 184-189 °C |
Boiling Point: | 546.942 °C at 760 mmHg |
Flash Point: | 302.787 °C |
Solubility: | Insoluble in water. |
Appearance: | white to light yellow crystal powde |
Risk Codes: | 36/37/38 |
Safety: | 24/25 |
PSA: | 27.18000 |
LogP: | 5.20300 |
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This chemical is called Benzene-1,2-diylbis(diphenylphosphane), and its CAS registry number is 13991-08-7. With the molecular formula of C30H24P2, its product categories are Ligand; Catalysis and Inorganic Chemistry; Phosphorus Compounds; Polydentate Phosphine Ligands. In addition, this chemical should be sealed in the ventilated and dry place, away from oxides.
Other characteristics of the cBenzene-1,2-diylbis(diphenylphosphane) can be summarised as followings: (1)ACD/LogP: 9.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.203; (4)ACD/LogD (pH 7.4): 9.203; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2418472.25; (8)ACD/KOC (pH 7.4): 2418472.25; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.18 Å2; (13)Flash Point: 302.787 °C; (14)Enthalpy of Vaporization: 79.526 kJ/mol; (15)Boiling Point: 546.942 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
Uses of this chemical: The Benzene-1,2-diylbis(diphenylphosphane) could react with fluorosulfuric acid methyl ester, and obtain the o-Phenylenbis(methyldiphenylphosphonium-fluorosulfat). This reaction needs the reagent of CH2Cl2. The yield is 49 %.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. Avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
1.SMILES: c1ccc(cc1)P(c2ccccc2)c3ccccc3P(c4ccccc4)c5ccccc5
2.InChI: InChI=1/C30H24P2/c1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24H 3.InChIKey: NFRYVRNCDXULEX-UHFFFAOYAN