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1,2-Hydrazinedicarboxylic acid, 1-(1,1-dinitropropyl)-, diethyl ester structure
1,2-Hydrazinedicarboxylic acid, 1-(1,1-dinitropropyl)-, diethyl ester structure

1,2-Hydrazinedicarboxylic acid, 1-(1,1-dinitropropyl)-, diethyl ester

Iupac Name:sodium 2-tritioacetate
CAS No.:5007-31-8
Molecular Weight:84.041899
1. Names and Identifiers
1.1 Name
1,2-Hydrazinedicarboxylic acid, 1-(1,1-dinitropropyl)-, diethyl ester
1.2 CAS No.
5007-31-8
1.3 CID
23663393
1.4 Molecular Formula
C14H21NO2 (isomer)
1.5 Inchi
InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1/i1T;
1.6 InChkey
VMHLLURERBWHNL-PXDSPCEXSA-M
1.7 Canonical Smiles
CC(=O)[O-].[Na+]
1.8 Isomers Smiles
[3H]CC(=O)[O-].[Na+]
2. 3D Conformer
3. Properties
3.1 Density
1.137
4. Safety and Handling
4.1 Risk Statements
11
4.2 Safety Statements
7-16
4.3 Transport
UN 2910 7
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

6. Computational chemical data
  • Molecular Weight:84.041899g/mol
  • Molecular Formula:C14H21NO2
  • Exact Mass:84.011298
  • Monoisotopic Mass:84.011298
  • Complexity:34.6
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.1
  • Heavy Atom Count:5
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:1
  • Covalently-Bonded Unit Count:2
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