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Home> Encyclopedia >   /  Pigment  /  Silicate  /  Organic Intermediate  /  Inorganic Chemicals  /  Other Inorganic Chemicals
1-Propanaminium,N,N,N-tripropyl-, N-(2,4-dinitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarboxamide(1:1) structure
1-Propanaminium,N,N,N-tripropyl-, N-(2,4-dinitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarboxamide(1:1) structure

1-Propanaminium,N,N,N-tripropyl-, N-(2,4-dinitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarboxamide(1:1)

Iupac Name:dipotassium;dioxosilane;oxo(oxoalumanyloxy)alumane;oxygen(2-)
CAS No.:12001-26-2
Molecular Weight:800.9
1. Names and Identifiers
1.1 Name
1-Propanaminium,N,N,N-tripropyl-, N-(2,4-dinitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarboxamide(1:1)
1.2 Synonyms

107350-78-7 1-propanaminium, n,n,n-tripropyl-, salt with n-(2,4-dinitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarboxamide (1:1) 1-Propanaminium,N,N,N-tripropyl-, salt withN-(2,4-dinitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarboxamide(1:1) (9CI) AC1L41W1 Cyclohexanecarboxamide, N-(2,4-dinitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluoro-,ion(1-), N,N,N-tripropyl-1-propanaminium (9CI) n-(2,4-dinitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide OR131512 tetrapropylazanium

1.3 CAS No.
12001-26-2
1.4 CID
92027383
1.5 Molecular Formula
C20H22CLF3N2OS (isomer)
1.6 Inchi
InChI=1S/2Al.2K.O2Si.4O/c;;;;1-3-2;;;;/q;;2*+1;;;;;-2
1.7 InChkey
YGANSGVIUGARFR-UHFFFAOYSA-N
1.8 Canonical Smiles
[O-2].O=[Al]O[Al]=O.O=[Si]=O.[K+].[K+]
1.9 Isomers Smiles
[O-2].O=[Al]O[Al]=O.O=[Si]=O.[K+].[K+]
2. 3D Conformer
3. Properties
3.1 Density
1.645
3.2 Melting Point
1500 °C
3.3 Boiling Point
461.3°C at 760 mmHg
3.4 Vapour
0 mm Hg (approx) (NIOSH, 2016)
3.5 Refractive Index
1.55-1.61
3.6 Flash Point
313.3°C
4. Safety and Handling
4.1 Safety Statements
22
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:800.9g/mol
  • Molecular Formula:C20H22CLF3N2OS
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:255.836904
  • Monoisotopic Mass:255.836904
  • Complexity:52.4
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:78.5
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:5
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