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Basic Information
CAS No.: 2736-80-3
Name: 2,2-dinitropropane-1,3-diol
Molecular Structure:
Molecular Structure of 2736-80-3 (2,2-dinitropropane-1,3-diol)
Formula: C3H6 N2 O6
Molecular Weight: 166.09
Synonyms: 2,2-Dinitro-1,3-propanediol;NSC 2694
Density: 1.683g/cm3
Melting Point: 141°C
Boiling Point: 367°C at 760 mmHg
Flash Point: 173.3°C
Safety: Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx.
PSA: 132.10000
LogP: -0.73290
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Chemistry

IUPAC Name: 2,2-Dinitropropane-1,3-diol 
Molecular Formula: C3H6N2O6
Molecular Weight: 166.11g/mol
Density: 1.683 g/cm3
Properties: A solid. 
Melting Point: 140–142°C
Boiling Point: 367 °C at 760 mmHg
Flash Point: 173.3 °C
Freely Rotating Bonds: 6
Polar Surface Area: 110.1 Å2
Index of Refraction: 1.541
Molar Refractivity: 31.02 cm3
Molar Volume: 98.6 cm3
Polarizability: 12.3 ×10-24 cm3
Surface Tension: 82.2 dyne/cm
Enthalpy of Vaporization: 71 kJ/mol
Vapour Pressure: 7.08E-07 mmHg at 25°C 
The Cas Register Number of 2,2-Dinitro-1,3-propanediol is 2736-80-3.The chemical synonyms of 2,2-Dinitro-1,3-propanediol (CAS NO.2736-80-3) are 1,3-Propanediol, 2,2-dinitro- ; 2,2-Dinitro-1, 3-propanediol ; 2,2-Dinitro-1,3-propanediol ; 2,2-Dinitropropane-1,3-diol  .The molecular structure of 2,2-Dinitro-1,3-propanediol (CAS NO.2736-80-3) is.

Uses

It can be used in organic synthesis.

Toxicity Data With Reference

1.    

ipr-mus LD50:76 mg/kg

     KHFZAN    Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. 11 (1)(1977),73.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx.

Specification

A new energetic plasticizer, 2,2-Dinitro-1,3-propanediol (CAS NO.2736-80-3), has been characterized. Its high oxygen balance, +12.5%, and low glass transition temperature, -81.5 °C (midpoint), makes it very attractive as an energetic plasticizer in solid propellants. The ability of 2,2-Dinitro-1,3-propanediol (CAS NO.2736-80-3) to lower the glass transition temperature and viscosity of uncured PolyNIMMO has been studied and compared to other energetic plasticizers, such as BDNPA/F and butyl-NENA. It  has a similar plasticizing effect as butyl-NENA, both on depressing the glass transition temperature and lowering the viscosity. To increase the poor thermal stability of NPN, several conventional nitrocellulose/nitroglycerine stabilizers were evaluated. Further work is however needed to find a more effective stabilizer.