133672-87-4

Basic information

• Product Name: Phosphine, 1,2-propadienyl-
• Synonyms: Phosphine, 1,2-propadienyl-
• CAS NO: 133672-87-4
• Molecular Formula: C3H5P
• Molecular Weight: 72.05
• Mol File: 133672-87-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 77.1°Cat760mmHg
• Flash Point: 0.4°C
• Appearance: /
• Density: g/cm³
• Vapor Pressure: 108mmHg at 25°C
• CAS DataBase Reference: Phosphine, 1,2-propadienyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Phosphine, 1,2-propadienyl-(133672-87-4)
• EPA Substance Registry System: Phosphine, 1,2-propadienyl-(133672-87-4)

Safety Data

• Hazardous Substances Data: 133672-87-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C3H5P/c1-2-3-4/h3H,1,4H2

Upstream product

• 119713-39-2 5,5-dimethyl-2-oxo-2-(propa-1',2'-diene)-1,3,2-dioxaphosphorinane 

Relevant articles and documents

Structural and conformational properties of 1,2-propadienylphosphine (allenylphosphine) studied by microwave spectroscopy and quantum chemical calculations

1,2-Propadienylphosphine (allenylphosphine), H2C=C=CHPH 2, has been investigated by Stark and Fourier transform microwave spectroscopy. Two rotameric forms denoted syn and gauche have been assigned. The syn form has a symmetry plane (Cs symmetry) where the lone electron pair of phosphorus points toward the double bonds. The phosphino group is rotated roughly 120° from this position in the gauche retainer. The dipole moment of syn was determined to be μa = 1.613(23), μb = 2.347(24), μc = 0 (for symmetry reasons), and μtot = 2.848(28) × 10-30 C m [0.854(8) D]. The energy difference between the two forms was found to be 2.1(4) kJ/mol from relative intensity measurements with syn as the more stable conformer. Extensive quantum chemical calculations have been carried out and accurate equilibrium structures have been determined for these two rotamers, as well as for the corresponding two conformers of vinylphosphine (H2C=CHPH 2).