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41886-31-1

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Basic Information
CAS No.: 41886-31-1
Name: 1,3-Bis(hydroxyimino)propan-2-one
Molecular Structure:
Molecular Structure of 41886-31-1 (1,3-Bis(hydroxyimino)propan-2-one)
Formula: C3H4N2O3
Molecular Weight: 116.076
Density: 1.42g/cm3
Melting Point: 133 °C (decomp)
Boiling Point: 362.574°C at 760 mmHg
Flash Point: 173.079°C
Safety: A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx.
PSA: 82.25000
LogP: -0.52450
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Chemistry

IUPAC Name: (1E,3E)-1,3-bis(hydroxyimino)propan-2-one
Synonyms of Diisonitrosoacetone (CAS NO.41886-31-1): 4-01-00-03781 (Beilstein Handbook Reference) ; BRN 1701879 ; 1,2,3-Propanetrione, 1,3-dioxime
CAS NO: 41886-31-1  
Molecular Formula of Diisonitrosoacetone (CAS NO.41886-31-1): C3H4N2O
Molecular Weight: 116.0755  
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 82.25 Å2
Index of Refraction: 1.524
Molar Refractivity: 25.031 cm3
Molar Volume: 81.753 cm3 
Surface Tension: 59.119 dyne/cm
Density of Diisonitrosoacetone (CAS NO.41886-31-1): 1.42 g/cm3
Flash Point: 173.079 °C
Enthalpy of Vaporization: 70.435 kJ/mol
Boiling Point: 362.574 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Molecular Structure:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 20mg/kg (20mg/kg)   Journal of Pharmaceutical Sciences. Vol. 53, Pg. 1143, 1964.
rat LDLo intraperitoneal 30mg/kg (30mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR		 British Journal of Pharmacology and Chemotherapy. Vol. 11, Pg. 417, 1956.

Safety Profile

A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx.