IUPAC Name: 2-amino-4,6-dinitrophenolate; zirconium(4+)
Empirical Formula: C24H16N12O20Zr
Molecular Weight: 883.6762g/mol
H-Bond Donor: 4
H-Bond Acceptor: 24
Rotatable Bond Count: 0
Exact Mass: 881.965085
MonoIsotopic Mass: 881.965085
Topological Polar Surface Area: 541
Heavy Atom Count: 57
Formal Charge: 0
Complexity: 247
Flash Point: 187.5 °C
Enthalpy of Vaporization: 66.01 kJ/mol
Boiling Point: 386.3 °C at 760 mmHg
Vapour Pressure: 1.6E-06 mmHg at 25°C
Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])[O-])N)[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-
])[O-])N)[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])N)[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])N)[N+](=O)[O-].[Zr+4]
InChI: InChI=1S/4C6H5N3O5.Zr/c4*7-4-1-3(8(11)12)2-5(6(4)10)9(13)14;/h4*1-2,10H,7H2;/q;;;;+4/p-4
InChIKey: SSGTYYSNZOGONL-UHFFFAOYSA-J
Structure of Picramic acid, zirconium salt (wet) (CAS NO.63868-82-6):
RIDADR: 0236
HazardClass: 1.3C
PackingGroup: II
Flammable when exposed to HEAT or flame; can react vigorously with oxidizing materials. When HEATed to decomposition it emits toxic fumes of NOx. See also ZIRCONIUM COMPOUNDS and PICRAMIC ACID, SODIUM SALT; PICRAMIC ACID, ZIRCONIUM SALT (WET).
OSHA PEL: TWA 5 mg(Zr)/m3; STEL 10 mg(Zr)/m3
ACGIH TLV: TWA 5 mg(Zr)/m3; STEL 10 mg(Zr)/m3; Not Classifiable as a Human Carcinogen
DFG MAK: 1 mg(Zr)/m3
DOT Classification: EXPLOSIVE 1.3C; Label: EXPLOSIVE 1.3C (UN 0236); DOT Class: 4.1; Label: Flammable Solid (UN 1517)
Picramic acid, zirconium salt (wet) , its cas register number is 63868-82-6. It also can be called HSDB 1994 ;
Zirconium, tetrakis(2-amino-4,6-dinitrophenolato)- . Picramic acid, zirconium salt (wet) (CAS NO.63868-82-6) is a slurry or sludge of yellow crystals. It is flammable when exposed to heat or flame and it can react vigorously with oxidizing materials.When heated to decomposition it emits toxic fumes of NOx. It is toxic and may be fatal if inhaled, swallowed or absorbed through skin. You should wear suitable protective clothing, gloves and eye/face protection.
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