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365246

Sigma-Aldrich

2-Nitrophenyl selenocyanate

97.5%

Synonym(s):

1-Nitro-2-selenocyanatobenzene, o-Nitrophenyl selenocyanate, o-Nitrophenyl selenocyanide, o-Nitrophenylselenyl cyanide

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About This Item

Linear Formula:
O2NC6H4SeCN
CAS Number:
51694-22-5
Molecular Weight:
227.08
Beilstein:
1309777
EC Number:
257-350-4
MDL number:
MFCD00043146
UNSPSC Code:
12352100
PubChem Substance ID:
24862498
NACRES:
NA.22

Quality Level

200

Assay

97.5%

mp

140-142 °C (lit.)

functional group

nitro

SMILES string

[O-][N+](=O)c1ccccc1[Se]C#N

InChI

1S/C7H4N2O2Se/c8-5-12-7-4-2-1-3-6(7)9(10)11/h1-4H

InChI key

LHBLJWULWKQRON-UHFFFAOYSA-N

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General description

2-Nitrophenyl selenocyanate is a chromophoric selenium compound.

Application

2-Nitrophenyl selenocyanate (o-nitrophenyl selenocyanate) may be used:
  • to study the mechanism of its reaction with the zinc/thiolate clusters of metallothionein
  • in the preparation of 2,3-seco-5 α-cholestane-2,3-diol
  • in the preparation of 4α-methyl-2,3-seco-5 α-cholestane-2,3-diol
  • in the preparation of 2-nitrophenylselenyl derivative
  • in the synthesis of 3α-[(2-Nitrophenyl)seleno]androsta-1,5-dien-17β-ol

Signal Word

Danger

Hazard Statements

H301 + H331,H373,H410

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - STOT RE 2

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Poisonous substance

PRTR

Class I Designated Chemical Substances

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

365246-250MG:4548173140339
365246-1G:4548173140322
365246-VAR:
365246-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
BCCC1075
BCBZ4212
BCBW3136
1452240V
1452240

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Shaoman Zhou et al.
Journal of medicinal chemistry, 49(20), 6120-6128 (2006-09-29)
All stereoisomers of adenine and guanine methylene-3-fluoromethylenecyclopropane analogues of nucleosides 9a, 9b, 10a, 10b, 11a, 11b, 12a, and 12b were synthesized and their antiviral activities were evaluated. A highly convergent approach permitted the synthesis of all these analogues using a
M Arnó et al.
Steroids, 43(3), 305-314 (1984-03-01)
The reaction of 2,3-seco-5 alpha-cholestane-2,3-diol and 4 alpha-methyl-2,3-seco-5 alpha-cholestane-2,3-diol with o-nitrophenyl selenocyanate was studied. The diols were synthesized from cholesterol.
Y Chen et al.
Antioxidants & redox signaling, 3(4), 651-656 (2001-09-14)
Zinc/thiolate (cysteine) coordination occurs in a very large number of proteins. These coordination sites are thermodynamically quite stable. Yet the redox chemistry of thiolate ligands confers extraordinary reactivities on these sites. The significance of such ligand-centered reactions is that they
Synthesis and radical oxidation of steroidal 1-oxo-5α-alcohols.
Khripach VA, et al.
ARKIVOC (Gainesville, FL, United States), 9, 20-28 (2008)
Wenyi Zheng et al.
Analytical chemistry, 89(14), 7586-7592 (2017-06-24)
p-Xyleneselenocyanate (p-XSC) is one of the most investigated selenium compounds in cancer-prevention and -therapy. Despite the potent anticancer property, there is still no proper method to perform the quantitative analysis of p-XSC in plasma. In this investigation, we aimed at

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