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2,2',4,4',6,6'-Hexanitrodifenylamin

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Name 2,2',4,4',6,6'-Hexanitrodifenylamin EINECS 205-037-8
CAS No. 131-73-7 Density 1.938g/cm3
Solubility Melting Point
Formula C12H5N7O12 Boiling Point 532.5°Cat760mmHg
Molecular Weight 439.24 Flash Point 275.9°C
Transport Information Appearance
Safety 35-36-45-61 Risk Codes 2-26/27/28-33-51/53
Molecular Structure Molecular Structure of 131-73-7 (Benzenamine,2,4,6-trinitro-N-(2,4,6-trinitrophenyl)-) Hazard Symbols ExplosiveEVeryT+DangerousN
Synonyms

Diphenylamine,2,2',4,4',6,6'-hexanitro- (8CI);2,2',4,4',6,6'-Hexanitrodiphenylamine;2,4,6,2',4',6'-Hexanitrodiphenylamine;2,4,6-Trinitro-N-(2,4,6-trinitrophenyl)benzenamine;Bis(2,4,6-trinitrophenyl)amine;Dipicrylamine;Hexamine;Hexamine (potassiumreagent);Hexanitrodiphenylamine;Hexyl;Hexyl (reagent);N,N-Bis(2,4,6-Trinitrophenyl)amine;NSC 1786;

 

Chemistry

Molecular Structure of 2,2',4,4',6,6'-Hexanitrodifenylamin (CAS No.131-73-7):

Molecular Formula: C12H5N7O12
Molecular Weight: 439.21
IUPAC Name: 2,4,6-Trinitro-N-(2,4,6-trinitrophenyl)aniline
CAS No: 131-73-7
EINECS: 205-037-8
H bond acceptors: 19
H bond donors: 1
Freely Rotating Bonds: 8
Polar Surface Area: 286.95 Å2
Index of Refraction: 1.778
Molar Refractivity: 94.9 cm3
Molar Volume: 226.5 cm3
Surface Tension: 109.9 dyne/cm
Density: 1.938 g/cm3
Flash Point: 275.9 °C
Enthalpy of Vaporization: 80.83 kJ/mol
Boiling Point: 532.5 °C at 760 mmHg
Vapour Pressure: 2.02E-11 mmHg at 25°C
Classification Code: Mutation data;Tumor data 
Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+]
(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C12H5N7O12/c20-14(21)5-1-7(16(24)25)11(8(2-5)17(26)27)13-12-9
(18(28)29)3-6(15(22)23)4-10(12)19(30)31/h1-4,13H
InChIKey: CBCIHIVRDWLAME-UHFFFAOYSA-N

Uses

  2,4,6-Trinitro-N-(2,4,6-trinitrophenyl)aniline (CAS NO.131-73-7) is used for the manufacture of ammunition and an analysis of potassium.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 11, 1953.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Safety Information of 2,2',4,4',6,6'-Hexanitrodifenylamin (CAS No.131-73-7):
Hazard Codes: ExplosiveE,VeryT+,DangerousN
Risk Statements: 2-26/27/28-33-51/53 
R2:Risk of explosion by shock, friction, fire or other source of ignition. 
R26/27/28:Very toxic by inhalation, in contact with skin and if swallowed. 
R33:Danger of cumulative effects. 
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 35-36-45-61 
S35:This material and its container must be disposed of in a safe way. 
S36:Wear suitable protective clothing. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: 0079
HazardClass: 1.1D

Standards and Recommendations

DOT Classification:  EXPLOSIVE 1.1D; Label: EXPLOSIVE 1.1D

Specification

   2,2',4,4',6,6'-Hexanitrodifenylamin (CAS No.131-73-7), it also can be called 2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline ; Benzenamine, 2,4,6-trinitro-N- (2,4,6-trinitrophenyl)- ; Bis(2,4,6-trinitro-phenyl)-amin .

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