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Home > Encyclopedia > Phosphoric acid, bis(4-chlorobutyl) 3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester

Phosphoric acid, bis(4-chlorobutyl) 3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester

Phosphoric acid, bis(4-chlorobutyl) 3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester structure

Phosphoric acid, bis(4-chlorobutyl) 3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester 

structure
  • CAS No:

    14745-61-0

  • Formula:

    C18H22Cl3O6P

  • Chemical Name:

    Phosphoric acid, bis(4-chlorobutyl) 3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester

  • Synonyms:

    Phosphoric acid,bis(4-chlorobutyl) 3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester;Coumarin,3-chloro-7-hydroxy-4-methyl-,bis(4-chlorobutyl) phosphate;1-Butanol,4-chloro-,hydrogen phosphate,ester with 3-chloro-7-hydroxy-4-methylcoumarin

Phosphoric acid, bis(4-chlorobutyl) 3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester Basic Attributes

471.692

471.70

DTXSID80163723

Characteristics

71.1

4.7

Oral-rat LD50: > 100 mg/kg

Combustible; Fire site decomposes toxic chloride, phosphorus oxide gas

Safety Information

Treasury is low temperature, ventilated, dry; stored separately from food raw materials

Toxicity

highly toxic

Computed Properties

Molecular Weight:471.7
XLogP3:4.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:12
Exact Mass:470.021958
Monoisotopic Mass:470.021958
Topological Polar Surface Area:71.1
Heavy Atom Count:28
Complexity:584
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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