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38082-89-2

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Basic Information
CAS No.: 38082-89-2
Name: 2,6-BIS,BIS(PICRYLAMINO)-3,5-DINITROPYRIDINE
Article Data: 1
Molecular Structure:
Molecular Structure of 38082-89-2 (2,6-BIS,BIS(PICRYLAMINO)-3,5-DINITROPYRIDINE)
Formula: C17H7 N11 O16
Molecular Weight: 621.307
Synonyms: 2,6-Pyridinediamine,3,5-dinitro-N,N'-bis(2,4,6-trinitrophenyl)- (9CI); PYX; PYX (explosive);Pyridine, 3,5-dinitro-2,6-bis(2,4,6-trinitroanilino)-
Density: 1.5430 (rough estimate)
Melting Point: 243 °C (decomp)
Boiling Point: 662.03°C (rough estimate)
Flash Point: 357.052oC
Safety: Low toxicity by ingestion and skin contact. An eye irritant. Caution: an explosive. When heated to decomposition it emits toxic fumes of NOx.
PSA: 403.51000
LogP: 8.16600
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Chemistry

Product Name: PYX explosive (CAS NO.38082-89-2)


Molecular Formula: C17H7N11O16
Molecular Weight: 621.30158g/mol
Mol File: 38082-89-2.mol
Boiling point: 666.8 °C at 760 mmHg
Flash Point: 357.1 °C
Density: 2.007 g/cm3
Surface Tension: 123.6 dyne/cm
Enthalpy of Vaporization: 98.03 kJ/mol
Vapour Pressure: 1.21E-17 mmHg at 25°C
XLogP3-AA: 4.3
H-Bond Donor: 2
H-Bond Acceptor: 19
Structure Descriptors of PYX explosive (CAS NO.38082-89-2):
  Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])NC2=C(C=C(C(=N2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
  InChI: InChI=1S/C17H7N11O16/c29-21(30)6-1-8(23(33)34)14(9(2-6)24(35)36)18-16-12(27(41)42)5-13(28(43)44)17(20-16)19-15-10(25(37)38)3-7(22(31)32)4-11(15)26(39)40/h1-5H,(H2,18,19,20) 
  InChIKey: YSSXHRVRZWIAKV-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

eye-rbt 100 mg/1H MLD

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) LA-8695-MS .
2.    

orl-rat LD50:>5 g/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) LA-8695-MS .
3.    

orl-mus LD50:>5 g/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) LA-8695-MS .

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Low toxicity by ingestion and skin contact. An eye irritant. Caution: an explosive. When heated to decomposition it emits toxic fumes of NOx.

Specification

 PYX explosive ,its CAS NO. is 38082-89-2,the synonyms is 2,6-Bis(picrylamino)-3,5-dinitropyridine ; 3,5-Dinitro-N,N'-bis(2,4,6-trinitrophenyl)-2,6-pyridinediamine ; BRN 0471067 ; PYX ; 2,6-Pyridinediamine, 3,5-dinitro-N,N'-bis(2,4,6-trinitrophenyl)- ; 2,6-Pyridinediamine, 3,5-dinitro-N2,N6-bis(2,4,6-trinitrophenyl)- .