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Home > Encyclopedia > 1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, diethyl ester

1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, diethyl ester

1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, diethyl ester structure

1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, diethyl ester 

structure
  • CAS No:

    93952-12-6

  • Formula:

    C12H10D4O4

  • Chemical Name:

    1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, diethyl ester

  • Synonyms:

    1,2-Benzene-3,4,5,6-d4-dicarboxylic acid,diethyl ester

  • Categories:

    Chemical Reagents  >  Deuterated Reagents

1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, diethyl ester Basic Attributes

226.26

226.11400

DTXSID40584031

Characteristics

52.60000

2.04000

1.158 g/mL at 25ºC

−3 °C(lit.)

298-299 °C(lit.)

320 °F

1.507

Safety Information

UN 3082 9 / PGIII

2

1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, diethyl ester Use and Manufacturing

A phthalate labelled metabolite with genotoxic effect.

Computed Properties

Molecular Weight:226.26
XLogP3:2.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:226.11431591
Monoisotopic Mass:226.11431591
Topological Polar Surface Area:52.6
Heavy Atom Count:16
Complexity:223
Isotope Atom Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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