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Home > Encyclopedia > (2-butan-2-yl-4,6-dinitro-phenyl) (2,4-dinitrophenyl) carbonate

(2-butan-2-yl-4,6-dinitro-phenyl) (2,4-dinitrophenyl) carbonate

(2-butan-2-yl-4,6-dinitro-phenyl) (2,4-dinitrophenyl) carbonate structure

(2-butan-2-yl-4,6-dinitro-phenyl) (2,4-dinitrophenyl) carbonate 

structure
  • CAS No:

    61614-62-8

  • Formula:

    C17H14N4O11

  • Chemical Name:

    (2-butan-2-yl-4,6-dinitro-phenyl) (2,4-dinitrophenyl) carbonate

  • 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

(2-butan-2-yl-4,6-dinitro-phenyl) (2,4-dinitrophenyl) carbonate Basic Attributes

450.31

450.31

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

Toxicity

highly toxic

Drug Information

Tribonate

(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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