CAS No.32306-29-9,ISOXATHION OXON Suppliers

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Basic Information

Molecular Structure:
CAS No.:	32306-29-9
Name:	ISOXATHION OXON

Formula:	C₁₃H₁₆NO₅P
Molecular Weight:	297.24
Synonyms:	Isoxathion-oxon;Kalphosox;
Density:	1.233 g/cm³
Melting Point:	47～53℃
Boiling Point:	402.604 °C at 760 mmHg
Flash Point:	197.288 °C
PSA:	80.60000
LogP:	3.90150

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Specification

The Phosphoric acid diethyl ester 5-phenyl-isoxazol-3-yl ester, with the CAS registry number 32306-29-9, is also known as Phosphoric acid, diethyl 5-phenyl-3-isoxazolyl ester. This chemical's molecular formula is C₁₃H₁₆NO₅P and molecular weight is 297.24. What's more, both its IUPAC name and systematic name are the same which is called Diethyl (5-phenyl-1,2-oxazol-3-yl) phosphate. Classification codes of Phosphoric acid diethyl ester 5-phenyl-isoxazol-3-yl ester are Agricultural Chemical and Insecticide.

Physical properties about Phosphoric acid diethyl ester 5-phenyl-isoxazol-3-yl ester are: (1) ACD/LogP: 2.75; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.75; (4) ACD/LogD (pH 7.4): 2.75; (5) ACD/BCF (pH 5.5): 72.51; (6) ACD/BCF (pH 7.4): 72.51; (7) ACD/KOC (pH 5.5): 746.96; (8) ACD/KOC (pH 7.4): 746.96; (9) #H bond acceptors: 6; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 7; (12) Polar Surface Area: 80.6 Å²; (13) Index of Refraction: 1.51; (14) Molar Refractivity: 72.17 cm³; (15) Molar Volume: 241.1 cm³; (16) Surface Tension: 42.6 dyne/cm; (17) Density: 1.232 g/cm³; (18) Flash Point: 197.3 °C; (19) Enthalpy of Vaporization: 62.83 kJ/mol; (20) Boiling Point: 402.6 °C at 760 mmHg; (21) Vapour Pressure: 2.52E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=P(OCC)(Oc1noc(c1)c2ccccc2)OCC
(2) InChI: InChI=1/C13H16NO5P/c1-3-16-20(15,17-4-2)19-13-10-12(18-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
(3) InChIKey: VLBRWDJSOHOVGF-UHFFFAOYAO

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	70mg/kg (70mg/kg)		Japan Pesticide Information. Vol. (48), Pg. 3, 1986.