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2,2-Dinitropropanol

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Name

2,2-Dinitropropanol

EINECS N/A
CAS No. 918-52-5 Density 1.483g/cm3
PSA 111.87000 LogP 0.29470
Solubility N/A Melting Point N/A
Formula C3H6 N2 O5 Boiling Point 252.8°Cat760mmHg
Molecular Weight 150.091 Flash Point 117.4°C
Transport Information N/A Appearance N/A
Safety Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 918-52-5 (2,2-Dinitropropanol) Hazard Symbols N/A
Synonyms

2,2-Dinitro-1-propanol;2,2-Dinitropropanol; NSC 17694

Article Data 10

2,2-Dinitropropanol Chemical Properties

IUPAC Name: 2,2-Dinitropropan-1-ol 
Molecular Formula: C3H6N2O5
EINECS: 213-043-7
Molecular Weight: 150.11g/mol
Density: 1.483g/cm3
Boiling Point: 252.8°C at 760mmHg
Flash Point: 117.4°C
Freely Rotating Bonds: 4
Polar Surface Area: 111.87 Å2
Index of Refraction: 1.494
Molar Refractivity: 29.49 cm3
Molar Volume: 101.1 cm3
Polarizability: 11.69 ×10-24 cm3
Surface Tension: 59 dyne/cm
Enthalpy of Vaporization: 56.94 kJ/mol
Vapour Pressure: 0.00294 mmHg at 25°C 
The Cas Register Number of  2,2-Dinitropropanol  is 918-52-5.The chemical synonyms of 2,2-Dinitropropanol  (CAS NO.918-52-5) are 1-Propanol, 2,2-dinitro-  ; 2,2-Dinitropropan-1-ol  ; 2,2-Dinitro-1-propanol ; 2,2-Dinitropropanol  .The molecular structure of 2,2-Dinitropropanol  (CAS NO.918-52-5) is.

2,2-Dinitropropanol Uses

 It can be used in organic synthesis.

2,2-Dinitropropanol Production

A process of synthesizing 2,2-Dinitropropanol (CAS NO.918-52-5)  comprising the steps of:
(a) mixing 2-nitropropanol with a stoichiometric excess of a formaldehyde source to form a reaction solution;
(b) adding a protic acid catalyst to the reaction solution, wherein said protic acid catalyst participates in the process as a catalyst or dehydration agent and not as a combinatorial reagent, wherein the reaction solution is maintained at a temperature in the range from about -30° C to 30° C. during said adding step and wherein the reaction solution is agitated during said adding step;
(c) washing the reaction solution with an aqueous hydroxide solution having a hydroxide ion concentration sufficient to neutralize the protic acid catalyst and to solubilize unreacted 2-dinitropropanol.

2,2-Dinitropropanol Toxicity Data With Reference

1.    

ipr-mus LD50:280 mg/kg

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

2,2-Dinitropropanol Consensus Reports

Reported in EPA TSCA Inventory.

2,2-Dinitropropanol Safety Profile

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

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