ChemicalBook--->CAS DataBase List--->6996-92-5

6996-92-5

6996-92-5 Structure

6996-92-5 Structure
IdentificationMore
[Name]

BENZENESELENINIC ACID
[CAS]

6996-92-5
[Synonyms]

BENZENESELENIC ACID
BENZENESELENINIC ACID
PHENYLSELENIC ACID
PHENYL SELENINIC ACID
seleninobenzoic acid
BENZENESELENINIC ACID 99%
PHENYLSELENIOUSACID
Benzene Selenenic Acid
Phenylhydroxy selenoxide
[EINECS(EC#)]

230-271-2
[Molecular Formula]

C6H6O2Se
[MDL Number]

MFCD00002100
[Molecular Weight]

189.07
[MOL File]

6996-92-5.mol
Chemical PropertiesBack Directory
[Appearance]

white to beige crystalline powder or needles
[Melting point ]

121-124 °C (lit.)
[Boiling point ]

114.4±23.0 °C(Predicted)
[density ]

1.9300
[storage temp. ]

Storage temp. 2-8°C
[Water Solubility ]

Slightly soluble in water
[form ]

solid
[pka]

pK1:4.79 (25°C)
[color ]

Plates from water
[BRN ]

1929765
[InChI]

1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)
[InChIKey]

WIHKGDVGLJJAMC-UHFFFAOYSA-N
[SMILES]

O[Se](=O)c1ccccc1
[CAS DataBase Reference]

6996-92-5(CAS DataBase Reference)
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 3283 6.1/PG 2
[WGK Germany ]

3
[F ]

8
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[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]

white to beige crystalline powder or needles
[Uses]

Benzeneseleninic acid was used as catalyst during the oxidation of sulfides to sulfoxides via ligand coupling on the iodine atom. It was also used in the preparation of 3-methoxy-17a-oxa-D-homoestra-l,3,5(10)-trien-17-one.
[General Description]

Benzeneseleninic acid oxidizes hydrazine or 1,2-disubstituted derivatives to corresponding diazenes.
[Safety Profile]

Reacts violently with hydrazinederivatives (e.g., benzohydrazide). When heated todecomposition it emits toxic fumes of Se.
[Purification Methods]

Add 10% excess of 15M NH3 to the solid acid and stir until the solid dissolves, filter, decolorise with charcoal (2x, Norite) and acidify by slow addition of 6M HCl, filter the solid off and wash it with H2O. Dissolve the acid in the minimum volume of MeOH, and this solution is added dropwise to boiling H2O until cloudiness appears. At this point add 25% more boiling H2O, filter hot (decolorise if necessary) and cool rapidly, with scratching, to 0o. After 30minutes the solid is filtered off and recrystallised as before but with very slow cooling. The colourless needles are filtered off and dried in a vacuum desiccator (CaCl2) before the melting point is measured [McCullough & Gould J Am Chem Soc 71 674 1949]. The HNO3 complex has m 112o. [Beilstein 11 H 422, 11 I 110, 11 III 716.]
Spectrum DetailBack Directory
[Spectrum Detail]

BENZENESELENINIC ACID(6996-92-5)1HNMR
BENZENESELENINIC ACID(6996-92-5)Raman
BENZENESELENINIC ACID(6996-92-5)FT-IR
BENZENESELENINIC ACID(6996-92-5)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Benzeneseleninic acid, 99%(6996-92-5)
[Sigma Aldrich]

6996-92-5(sigmaaldrich)
[TCI AMERICA]

Benzeneseleninic Acid,>95.0%(T)(6996-92-5)
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