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51694-22-5

51694-22-5 Structure

51694-22-5 Structure
IdentificationMore
[Name]

2-NITROPHENYL SELENOCYANATE
[CAS]

51694-22-5
[Synonyms]

2-NITROPHENYL SELENOCYANATE
selenocyanicacid,2-nitrophenylester
o-nitrophenyl selenocyanate
2-nitrophenyl selenocyanic acid
2-NITROPHENYLSELENOCYANATE 99%
2-Nitrophenylselenocyanate, 99 % (GC)
(2-Nitrophenyl)seleno cyanide
(2-Nitrophenylseleno) cyanide
[(2-Nitrophenyl)seleno] cyanide
1-(Cyanoseleno)-2-nitrobenzene
[EINECS(EC#)]

257-350-4
[Molecular Formula]

C7H4N2O2Se
[MDL Number]

MFCD00043146
[Molecular Weight]

227.08
[MOL File]

51694-22-5.mol
Chemical PropertiesBack Directory
[Appearance]

dark brown crystalline solid
[Melting point ]

140-142 °C(lit.)
[Boiling point ]

345.2±44.0 °C(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Soluble in dichloromethane, tetrahydrofuran, dimethyl formamide and ethanol.
[form ]

Crystalline Powder
[color ]

brown
[Stability:]

Stable. Incompatible with acids, strong oxidizing agents.
[BRN ]

1309777
[Exposure limits]

ACGIH: TWA 0.2 mg/m3
NIOSH: IDLH 1 mg/m3; IDLH 25 mg/m3; TWA 0.2 mg/m3
[InChI]

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

LHBLJWULWKQRON-UHFFFAOYSA-N
[SMILES]

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

51694-22-5(CAS DataBase Reference)
[EPA Substance Registry System]

Selenocyanic acid, 2-nitrophenyl ester (51694-22-5)
Safety DataBack Directory
[Hazard Codes ]

T,N
[Risk Statements ]

R23/25:Toxic by inhalation and if swallowed .
R33:Danger of cumulative effects.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S20/21:When using, do not eat, drink or smoke .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 3282 6.1/PG 3
[WGK Germany ]

3
[F ]

13
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29310099
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Aquatic Acute 1
Aquatic Chronic 1
STOT RE 2
Hazard InformationBack Directory
[Chemical Properties]

dark brown crystalline solid
[Uses]

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
[General Description]

2-Nitrophenyl selenocyanate is a chromophoric selenium compound.
[Synthesis]

2-Nitrophenyl selenocyanate is obtained in 66% yield from o-nitroaniline by diazotization followed by treatment with Potassium Selenocyanate in buffer solution containing sodium acetate.
[storage]

Highly toxic and irritant agent. Use in a fume hood.
Spectrum DetailBack Directory
[Spectrum Detail]

2-NITROPHENYL SELENOCYANATE(51694-22-5)1HNMR
2-NITROPHENYL SELENOCYANATE(51694-22-5)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Nitrophenylselenocyanate, 99%(51694-22-5)
[Alfa Aesar]

2-Nitrophenylselenocyanate, 97%(51694-22-5)
[Sigma Aldrich]

51694-22-5(sigmaaldrich)
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