(2-butan-2-yl-4,6-dinitro-phenyl) (2,4-dinitrophenyl) carbonate
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(2-butan-2-yl-4,6-dinitro-phenyl) (2,4-dinitrophenyl) carbonate
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CAS No:
61614-62-8
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Formula:
C17H14N4O11
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Chemical Name:
(2-butan-2-yl-4,6-dinitro-phenyl) (2,4-dinitrophenyl) carbonate
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Synonyms:
(2-butan-2-yl-4,6-dinitro-phenyl) (2,4-dinitrophenyl) carbonate;Carbonic acid, 2,4-dinitrophenyl 2-(1-methylpropyl)-4,6-dinitrophenyl ester
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CAS No:
Characteristics
219
4.6
1.537±0.06 g/cm3(Predicted)
129-131 °C
579.8±50.0 °C(Predicted)
232.5ºC
1.63
1.95E-13mmHg at 25°C
Oral-Rat LD50: 108 mg/kg
Combustion produces toxic nitrogen oxide gas
Safety Information
The warehouse is ventilated, low temperature and dry; stored and transported separately from food materials
(2-butan-2-yl-4,6-dinitro-phenyl) (2,4-dinitrophenyl) carbonate Use and Manufacturing
Dinofenate is commercially produced by a process that involves reacting 2-sec-butyl-4,6-dinitrophenol with 2,4-dinitrophenyl chloroformate under controlled conditions to form the final compound, chemically known as (2-butyl-4,6-dinitrophenyl)(2,4-dinitrophenyl) carbonate. This process typically uses organic solvents and base catalysts to facilitate the nucleophilic substitution and ensure high yield.
Computed Properties
Molecular Weight:450.3
XLogP3:4.6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:450.06590728
Monoisotopic Mass:450.06590728
Topological Polar Surface Area:219
Heavy Atom Count:32
Complexity:741
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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