IUPAC Name: 1,2,3,4,5-Pentanitro-6-(2-nitrophenyl)sulfanylbenzene
Synonyms of Sulfide, bis(trinitrophenyl) (CAS NO.28930-30-5): Hexanitrodiphenylsulfide ; Hnds ; Benzene, 1,1'-thiobis-, hexanitro deriv.
InChI: InChI=1/C12H4N6O12S/c19-13(20)5-3-1-2-4-6(5)31-12-10(17(27)28)8(15(23)24)7(14(21)22)9(16(25)26)11(12)18(29)30/h1-4H
InChIKey: OKWLCUWJPPORKE-UHFFFAOYAW
Std. InChI: InChI=1S/C12H4N6O12S/c19-13(20)5-3-1-2-4-6(5)31-12-10(17(27)28)8(15(23)24)7(14(21)22)9(16(25)26)11(12)18(29)30/h1-4H
Std. InChIKey: OKWLCUWJPPORKE-UHFFFAOYSA-N
CAS NO: 28930-30-5
Molecular Formula: C12H4N6O12S
Molecular Weight: 456.2582
Molecular Structure :
H bond acceptors: 18
H bond donors: 0
Freely Rotating Bonds: 8
Polar Surface Area: 300.22 Å2
Index of Refraction: 1.759
Molar Refractivity: 95.67 cm3
Molar Volume: 232.5 cm3
Surface Tension: 121.5 dyne/cm
Density: 1.96 g/cm3
Flash Point: 320.5 °C
Enthalpy of Vaporization: 86.82 kJ/mol
Boiling Point: 606.4 °C at 760 mmHg
Vapour Pressure: 5.26E-14 mmHg at 25°C
Melting point: 234°C
Appearance: Sulfide, bis(trinitrophenyl) (CAS NO.28930-30-5) is golden-yellow leaflets.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 470mg/kg (470mg/kg) | Toxicology of New Industrial Chemical Substances. English translation of TPKVAL. Vol. 13, Pg. 132, 1973. | |
rat | LD50 | oral | 1200mg/kg (1200mg/kg) | Toxicology of New Industrial Chemical Substances. English translation of TPKVAL. Vol. 13, Pg. 132, 1973. |
RIDADR: 0041
HazardClass: 1.1D
PackingGroup: I
Moderately toxic by ingestion. See also SULFIDES and NITRO COMPOUNDS of AROMATIC HYDROCARBONS. See NITRATES for fire and explosion hazard. This material is a powerful explosive and has an added military advantage in that its explosive gases contain irritating and very toxic SOx. See also EXPLOSIVES, HIGH.
1.General Description: Sulfide, bis(trinitrophenyl) (CAS NO.28930-30-5) is explosive when dry or wetted with less than 10% water.It may explode under prolonged exposure to heat. The primary hazard is the blast effect of explosion and not flying projectiles and fragments. it is slightly soluble in alcohol and ether and soluble in glacial acetic acid and acetone .It has low toxicity.
2.Reactivity Profile: Sulfide, bis(trinitrophenyl) (CAS NO.28930-30-5) is high explosive. It can reacts with oxidizing agents in often vigorous reactions to liberate toxic gases.It reacts vigorously with reducing agents, including hydrides, sulfides and nitrides. These reactions may culminate in detonation.It may explode in the presence of a strong base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents.
3.Health Hazard : Fire may produce irritating, corrosive and/or toxic gases.
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