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1,4-DIACETOXY-2,3-DICYANOBENZENE

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

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

Molecular Weight：

244.2

Exact Mass：

244.04800

DSSTox ID：

DTXSID30232458

HScode：

2926909090

Characteristics

PSA：

100

XLogP3：

1.28056

Density：

1.34g/cm3

Melting Point：

166-167 °C(lit.)

Boiling Point：

447.5ºC at 760 mmHg

Flash Point：

195.2ºC

Refractive Index：

1.553

Water Solubility：

DMSO: soluble

Storage Conditions：

−20°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Drug Information

MeSH Entry Terms：

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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Guide of 1,4-DIACETOXY-2,3-DICYANOBENZENE

Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Latest News
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1,4-DIACETOXY-2,3-DICYANOBENZENE

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