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64245-83-6

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Basic Information
CAS No.: 64245-83-6
Name: 1,3-Bis(2,2-dinitro-2-fluoroethoxy)-N,N,N',N'-tetrafluoro-2,2-propanediamine
Molecular Structure:
Molecular Structure of 64245-83-6 (1,3-Bis(2,2-dinitro-2-fluoroethoxy)-N,N,N',N'-tetrafluoro-2,2-propanediamine)
Formula: C7H8 F6 N6 O10
Molecular Weight: 450.165
Synonyms: 2,2-PROPANEDIAMINE,N,N,N',N'-TETRAFLUORO-1,3-BIS(2-FLUORO-2,2-DINITROETHOXY)-;
Density: 1.8359 (estimate)
Boiling Point: 490.5±45.0 °C(Predicted)
Safety: Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of F− and NOx.
PSA: 208.22000
LogP: 2.30410
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  • 2,2-Propanediamine,N,N,N',N'-tetrafluoro-1,3-bis(2-fluoro-2,2-dinitroethoxy)-

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    64245-83-6

    2,2-Propanediamine,N,N,N',N'-tetrafluoro-1,3-bis(2-fluoro-2,2-dinitroethoxy)-

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Chemistry

Molecule structure of SYEP (CAS NO.64245-83-6) :

IUPAC Name: 2-N,2-N,2-N',2-N'-tetrafluoro-1,3-bis(2-fluoro-2,2-dinitroethoxy)propane-2,2-diamine 
Molecular Weight: 450.163039 g/mol
Molecular Formula: C7H8F6N6O10 
Density: 1.763 g/cm3 
Boiling Point: 490.5 °C at 760 mmHg 
Flash Point: 250.5 °C
Index of Refraction: 1.463
Molar Refractivity: 70.38 cm3
Molar Volume: 255.2 cm3
Polarizability: 27.9×10-24 cm3
Surface Tension: 49.7 dyne/cm 
Enthalpy of Vaporization: 75.71 kJ/mol
Vapour Pressure: 9.06E-10 mmHg at 25 °C
XLogP3-AA: 0.6
H-Bond Acceptor: 18
Rotatable Bond Count: 8
Exact Mass: 450.02061
MonoIsotopic Mass: 450.02061
Topological Polar Surface Area: 198
Heavy Atom Count: 29
Complexity: 549
Canonical SMILES: C(C(COCC([N+](=O)[O-])([N+](=O)[O-])F)(N(F)F)N(F)F)OCC([N+](=O)[O-])([N+](=O)[O-])F
InChI: InChI=1S/C7H8F6N6O10/c8-6(16(20)21,17(22)23)3-28-1-5(14(10)11,15(12)13)2-29-4-7(9,18(24)25)19(26)27/h1-4H2
InChIKey of SYEP (CAS NO.64245-83-6) : RPDFNWYMPMQRQO-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:812 mg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD-A062-138 .
2.    

ipr-mus LD50:235 mg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD-A062-138 .

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of F− and NOx.

Specification

 SYEP (CAS NO.64245-83-6) is also called 1,3-Bis(2,2-dinitro-2-fluoroethoxy)-2,2-bis(difluoramino)propane ; 1,3-Bis(2,2-dinitro-2-fluoroethoxy)-N,N,N',N'-tetrafluoro-2,2-propanediamine ; Bis(2,2-difluoroamino)-1,3-bis(dinitrofluoroethoxy)propane ; 2,2-Propanediamine, 1,3-bis(2,2-dinitro-2-fluoroethoxy)-N,N,N',N'-tetrafluoro-  ; 2,2-Propanediamine ,N,N',N'-tetrafluoro-1,3-bis(2-fluoro-2,2-dinitroethoxy)- .