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58144-61-9

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Basic Information
CAS No.: 58144-61-9
Name: (3-phenyl-2-isoxazoline-5-yl)phosphonic acid
Article Data: 1
Molecular Structure:
Molecular Structure of 58144-61-9 ((3-phenyl-2-isoxazoline-5-yl)phosphonic acid)
Formula: C9H10 N O4 P
Molecular Weight: 227.156
Synonyms: HAB 439
Density: 1.57g/cm3
Melting Point: 220 °C (decomp)
Boiling Point: 450.7°C at 760 mmHg
Flash Point: 226.4°C
Safety: A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx and POx.
PSA: 88.93000
LogP: 0.75040
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Chemistry

Molecular structure of 3-Phenyl-2-isoxazoline-5-phosphonic acid (CAS NO.58144-61-9) is:

Product Name: 3-Phenyl-2-isoxazoline-5-phosphonic acid
CAS Registry Number: 58144-61-9
IUPAC Name: (3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid
Molecular Weight: 227.153761 [g/mol]
Molecular Formula: C9H10NO4P
XLogP3-AA: 0.1
H-Bond Donor: 2
H-Bond Acceptor: 5
Surface Tension: 72.7 dyne/cm
Density: 1.57 g/cm3
Flash Point: 226.4 °C
Enthalpy of Vaporization: 74.78 kJ/mol
Boiling Point: 450.7 °C at 760 mmHg
Vapour Pressure: 6.52E-09 mmHg at 25°C 
Related Registry Number: 125674-53-5 (di-ammonium salt)

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 200mg/kg (200mg/kg)   United States Patent Document. Vol. #5006515,
rat LD50 intravenous 398mg/kg (398mg/kg)   Drugs of the Future. Vol. 16, Pg. 1091, 1991.

Safety Profile

A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx and POx.

Specification

 3-Phenyl-2-isoxazoline-5-phosphonic acid , its cas register number is 58144-61-9. It also can be called (4,5-Dihydro-3-phenyl-5-isoxazolyl)phosphonic acid ; BRN 0985524 ; HAB 439 ; Phosphonic acid, (4,5-dihydro-3-phenyl-5-isoxazolyl)- .