Basic information
- Name:
Ethanol, 2,2-dinitro-,potassium salt (1:1)
- CAS No.:
35229-99-3
- Molecular Structure:
- Formula:
- C2H4KN2O5
- Molecular Weight:
- 174.1539
- Synonyms:
- Ethanol,2,2-dinitro-, potassium deriv. (7CI);Ethanol, 2,2-dinitro-, potassium salt(8CI,9CI);Ethanol, 2-nitro-2-aci-nitro-, potassium deriv. (6CI);Potassium,(2-hydroxy-1,1-dinitroethyl)- (8CI);
- Boiling Point:
- 264.1 ℃at 760 mmHg
- Flash Point:
- 127.7 ℃
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Specification
The CAS registry number of Ethanol, 2,2-dinitro-,potassium salt (1:1) is 35229-99-3. This chemical is also named as 2,2-Dinitroethanol potassium salt. In addition, its molecular formula is C2H4KN2O5 and molecular weight is 175.1613. Its systematic name is called ethanol, 2,2-dinitro-, potassium salt.
Physical properties about Ethanol, 2,2-dinitro-,potassium salt (1:1) are: (1)#H bond acceptors: 7; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 4.
You can still convert the following datas into molecular structure:
(1)SMILES: [K+].[O-][N+](=O)C(CO)[N+]([O-])=O
(2)InChI: InChI=1/C2H4N2O5.K/c5-1-2(3(6)7)4(8)9;/h2,5H,1H2;/q;+1
(3)InChIKey: GOTRYDUKSGUWBY-UHFFFAOYAZ
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 415mg/kg (415mg/kg) | Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 11(1), Pg. 73, 1977. |