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35229-99-3

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Basic Information
CAS No.: 35229-99-3
Name: Potassium 2,2-dinitroethanolate
Molecular Structure:
Molecular Structure of 35229-99-3 (Potassium 2,2-dinitroethanolate)
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 ℃
PSA: 114.70000
LogP: 0.34280
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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.