Molecule structure of Sodium dinitro-o-cresylate (CAS NO.25641-53-6) :
IUPAC Name: sodium 2-(dinitromethyl)phenolate
Molecular Weight: 220.11477 g/mol
Molecular Formula: C7H5N2NaO5
Boiling Point: 329.9 °C at 760 mmHg
Flash Point: 147.9 °C
Enthalpy of Vaporization: 59.51 kJ/mol
Vapour Pressure: 8.98E-05 mmHg at 25 °C
H-Bond Acceptor: 5
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 220.009616
MonoIsotopic Mass: 220.009616
Topological Polar Surface Area: 109
Heavy Atom Count: 15
Complexity: 219
Canonical SMILES: C1=CC=C(C(=C1)C([N+](=O)[O-])[N+](=O)[O-])[O-].[Na+]
InChI: InChI=1S/C7H6N2O5.Na/c10-6-4-2-1-3-5(6)7(8(11)12)9(13)14;/h1-4,7,10H;/q;+1/p-1
InChIKey: GYGFOKZCSXAOFF-UHFFFAOYSA-M
1. | orl-rat LD50:60 mg/kg | UBZHD4 Ukrainskii Biokhimicheskii Zhurnal. Ukranian Biochemical Journal. v/o Mezhdunarodnaya Kniga, Kuznetskii Most 18, 58 (3)(1986),83. | ||
2. | orl-dom LD50:200 mg/kg | PEMNDP Pesticide Manual. 9 (1991),324. |
A poison by ingestion. Dangerous: an explosive and flammable solid. When heated to decomposition it emits toxic vapors of NOx.
DOT Classification: Explosive 1.3C; Label: Explosive 1.3C (UN 0234); 4.1; Label: Flammable Solid, Poison (UN 1348)
Sodium dinitro-o-cresylate (CAS NO.25641-53-6) is also called 2-Methyldinitrophenol sodium salt ; DNOC-sodium ; Dinitro-o-cresol sodium salt ; Phenol, 2-methyldinitro-, sodium salt ; Phenol, 2-methyldinitro-, sodium salt (9CI) ; o-Cresol, dinitro-, sodium salt . Sodium dinitro-o-cresylate (CAS NO.25641-53-6), division 1.3C, is a solid or liquid which has a primary hazard of fire and either a blast hazard or a minor projection hazard or both, but not a mass explosion hazard. Under prolonged exposure to fire or heat they may explode. It is highly flammable. The compound, Sodium dinitro-o-cresylate (CAS NO.25641-53-6) is shock sensitive and classified as explosive. When heated to decomposition Sodium dinitro-o-cresylate emits toxic fumes of NOx. Organic nitrates may explode when shocked, exposed to heat or flame or by spontaneous chemical reaction.Sodium dinitro-o-cresylate must be stored in a cool, ventilated place, away from acute fire hazards and easily oxidized materials. Also reacts violently with Al; BP; cyanides; esters; PN2H; P; NaCN; SnCl2; sodium hypophosphite; thiocyanates. Dangerous disaster hazard due to fire and explosion hazard.They are powerful oxidizing agents which may cause violent reaction with reducing materials. Nitrates should be protected carefully in storage. Some are toxic and may be fatal if inhaled, swallowed or absorbed through skin. Contact may cause burns to skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may cause pollution.
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