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| CAS No.: | 918-52-5 |
|---|---|
| Name: | 2,2-Dinitropropanol |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C3H6 N2 O5 |
| Molecular Weight: | 150.091 |
| Synonyms: | 2,2-Dinitro-1-propanol;2,2-Dinitropropanol; NSC 17694 |
| Density: | 1.483g/cm3 |
| Boiling Point: | 252.8°Cat760mmHg |
| Flash Point: | 117.4°C |
| Safety: | Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 111.87000 |
| LogP: | 0.29470 |
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Chemistry
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.png)
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Uses
It can be used in organic synthesis.
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.
Toxicity Data With Reference
| 1. | ipr-mus LD50:280 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.