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545-55-1

545-55-1 structural image
Product Name: TEPA
Formula: C6H12N3OP
Synonyms: KIAA1655;TEF;Thyrotroph embryonic factor
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Tris(1-aziridinyl) phosphine oxide appears as a colorless crystalline solid. Shipped as an aqueous solution. Toxic by skin absorption, ingestion or inhalation. Produces toxic oxides of nitrogen during combustion. Used as a pesticide.
Color/Form COLORLESS CRYSTALS
Boiling Point 90-91 °C @ 23 MM HG
Melting Point 106 °F (USCG, 1999)
Solubility EXTREMELY SOL IN WATER; VERY SOL IN ALCOHOL, ETHER, ACETONE
Density greater than 1 at 68 °F (est) (USCG, 1999)
Vapor Pressure 0.0063 [mmHg]
Stability/Shelf Life STABLE IN AQ SOLN @ LOW TEMP; @ INITIAL PH OF 6.8 & TEMP OF 3, 25, 50 & 100 °C, T/2 OF 0.3% SOLN IN TERMS OF IMINE FUNCTION WERE MORE THAN 200, 31, 7 & LESS THAN 0.1 DAYS, RESPECTIVELY; RATE OF DEGRADATION WAS PH-DEPENDENT: RELATIVELY STABLE @ PH 9; DEGRADED RAPIDLY @ PH 4
Decomposition DECOMP IN ACID SOLN WITH FORMATION OF AZIRIDINE
Chemical Classes Pesticides -> Insect Sterilants

COMPUTED DESCRIPTORS

Molecular Weight 173.15 g/mol
XLogP3 -0.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 173.07179901 g/mol
Monoisotopic Mass 173.07179901 g/mol
Topological Polar Surface Area 26.1 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 194
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Tris(1-aziridinyl) phosphine oxide appears as a colorless crystalline solid. Shipped as an aqueous solution. Toxic by skin absorption, ingestion or inhalation. Produces toxic oxides of nitrogen during combustion. Used as a pesticide.