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Home > Encyclopedia > 1,4-DIACETOXY-2,3-DICYANOBENZENE

1,4-DIACETOXY-2,3-DICYANOBENZENE

1,4-DIACETOXY-2,3-DICYANOBENZENE structure

1,4-DIACETOXY-2,3-DICYANOBENZENE 

structure
  • CAS No:

    83619-73-2

  • Formula:

    C12H8N2O4

  • Chemical Name:

    1,4-DIACETOXY-2,3-DICYANOBENZENE

  • Synonyms:

    ADB;3,6-DIACETOXYPHTHALONITRILE;1,4-DIACETOXY-2,3-DICYANOBENZENE;2,3-DICYANO-1,4-HYDROQUINONE DIACETATE;1,4-DIACETOXY-2,3-DICYANOBENZENE, FOR FL UORESCENCE;1,4-Diacetoxy-2,3-dicyanobenzene,2,3-Dicyano-1,4-hydroquinonediacetate,ADB;VXDCGBVAZDYTFK-UHFFFAOYSA-N

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

1,4-DIACETOXY-2,3-DICYANOBENZENE Basic Attributes

244.2

244.04800

DTXSID30232458

2926909090

Characteristics

100

1.28056

1.34g/cm3

166-167 °C(lit.)

447.5ºC at 760 mmHg

195.2ºC

1.553

DMSO: soluble

−20°C

Safety Information

NONH for all modes of transport

3

Drug Information

1,4-diacetoxy-2,3-dicyanobenzene

1,4-DIACETOXY-2,3-DICYANOBENZENE Use and Manufacturing

3,6-Diacetoxyphthalonitrile is a fluorescent probe for monitoring intracellular pH by flow cytometry in living cells. It rapidly crosses cell membranes and is cleaved by cytosolic esterases to form the fluorescent pH indicator 2,3-dicyano-hydroquinone, which is excited at UV wavelengths.

Computed Properties

Molecular Weight:244.20
XLogP3:0.9
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:244.04840674
Monoisotopic Mass:244.04840674
Topological Polar Surface Area:100
Heavy Atom Count:18
Complexity:400
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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