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76858-94-1

Basic Information
CAS No.: 76858-94-1
Name: 1,2-Bis(dipentafluorophenylphosphino)ethane
Article Data: 3
Molecular Structure:
Molecular Structure of 76858-94-1 (1,2-Bis(dipentafluorophenylphosphino)ethane)
Formula: C26H4F20P2
Molecular Weight: 758.233
Synonyms: Phosphine,1,2-ethanediylbis[bis(pentafluorophenyl)- (9CI);1,2-Bis(dipentafluorophenylphosphino)ethane;1,2-Bis[bis(pentafluorophenyl)phosphino]ethane;1,2-Ethanediylbis[bis(pentafluorophenyl)phosphine];Bis(dipentafluorophenylphosphine)ethane;Dfppe;
Melting Point: 192-195 °C(lit.)
Boiling Point: 494.2 °C at 760 mmHg
Flash Point: 252.7 °C
Solubility: Insoluble in water.
Appearance: white to light yellow crystal powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 37/39-26
Transport Information: UN3464
PSA: 27.18000
LogP: 8.03420
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Specification

The CAS register number of 1,2-Bis(dipentafluorophenylphosphino)ethane is 76858-94-1. It also can be called as Phosphine,1,1'-(1,2-ethanediyl)bis[1,1-bis(2,3,4,5,6-pentafluorophenyl)- and the systematic name about this chemical is ethane-1,2-diylbis[bis(pentafluorophenyl)phosphane]. The molecular formula about this chemical is C26H4F20P2 and the molecular weight is 758.23. It belongs to the following product categories, such as Ligand, Catalysis and Inorganic Chemistry, Phosphorus Compounds, Polydentate Phosphine Ligands and so on.

Physical properties about 1,2-Bis(dipentafluorophenylphosphino)ethane are: (1)ACD/LogP: 9.47; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.47; (4)ACD/LogD (pH 7.4): 9.47; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3390106.5; (8)ACD/KOC (pH 7.4): 3390106.5; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 27.18Å2; (11)Flash Point: 252.7 °C; (12)Enthalpy of Vaporization: 73.25 kJ/mol; (13)Boiling Point: 494.2 °C at 760 mmHg; (14)Vapour Pressure: 2.01E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(F)c(F)c(F)c(F)c1P(c2c(F)c(F)c(F)c(F)c2F)CCP(c3c(F)c(F)c(F)c(F)c3F)c4c(F)c(F)c(F)c(F)c4F
(2)InChI: InChI=1/C26H4F20P2/c27-3-7(31)15(39)23(16(40)8(3)32)47(24-17(41)9(33)4(28)10(34)18(24)42)1-2-48(25-19(43)11(35)5(29)12(36)20(25)44)26-21(45)13(37)6(30)14(38)22(26)46/h1-2H2
(3)InChIKey: IGLFIYOFKVGEBP-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C26H4F20P2/c27-3-7(31)15(39)23(16(40)8(3)32)47(24-17(41)9(33)4(28)10(34)18(24)42)1-2-48(25-19(43)11(35)5(29)12(36)20(25)44)26-21(45)13(37)6(30)14(38)22(26)46/h1-2H2
(5)Std. InChIKey: IGLFIYOFKVGEBP-UHFFFAOYSA-N