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ChemicalBook--->CAS DataBase List--->645-96-5

645-96-5

645-96-5 Structure

645-96-5 Structure
IdentificationMore
[Name]

PHENYLSELENOL
[CAS]

645-96-5
[Synonyms]

BENZENESELENOL
HYDROSELENOBENZENE
PHENYLSELENOL
SELENOPHENOL
Benzene, selenyl-
Phenol, seleno-
Selenylbenzene
Benzeneselenol~Selenophenol
Phenylselenol,90+%
Phenylselenol,97%
[EINECS(EC#)]

211-457-2
[Molecular Formula]

C6H6Se
[MDL Number]

MFCD00000001
[Molecular Weight]

157.07
[MOL File]

645-96-5.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellow liquid
[Boiling point ]

71-72 °C/18 mmHg (lit.)
[density ]

1.479 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.616(lit.)
[Fp ]

158 °F
[form ]

liquid
[pka]

4.73±0.70(Predicted)
[color ]

gold-yellow
[Water Solubility ]

Not miscible or difficult to mix in water.
[Sensitive ]

Air Sensitive
[BRN ]

385715
[Exposure limits]

ACGIH: TWA 0.2 mg/m3
NIOSH: IDLH 1 mg/m3; TWA 0.2 mg/m3
[CAS DataBase Reference]

645-96-5(CAS DataBase Reference)
[EPA Substance Registry System]

Benzeneselenol (645-96-5)
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 2810 6.1/PG 2
[WGK Germany ]

3
[F ]

10-23
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29319090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Bromobenzene-->Selenium-->DIPHENYL SELENIDE-->Diphenyl diselenide-->Iodobenzene-->Isobutylene-->Chlorobenzene
[Preparation Products]

Acetic acid, 2-(phenylseleno)--->METHYLPHENYLSELENIDE-->Chlorotrimethylsilane
Hazard InformationBack Directory
[Chemical Properties]

clear yellow liquid
[Uses]

Benzeneselenol may be used as starting reagent in the synthesis of monoseleno-substituted 1,3-dienes. It may be used in the synthesis of cationic chalcogenolato-bridged diruthenium complexes.
[Uses]

It is applied for reactions of phenylselenol and its anion. Benzeneselenol can used as starting reagent in the synthesis of monoseleno-substituted 1,3-dienes. It may be used in the synthesis of cationic chalcogenolato-bridged diruthenium complexes.
[General Description]

Benzeneselenol is an aryl selenol. Diphenyl diselenide-promoted radical addition of benzeneselenol to inactivated acetylenes upon irradiation through Pyrex with a tungsten lamp has been reported. Catalysis of stannane-mediated radical chain reactions by benzeneselenol, generated in situ by reduction of diphenyl diselenide with tributyltin hydride, has been reported.
[Purification Methods]

Dissolve it in aqueous N NaOH, acidify this with conc HCl and extract with Et2O, dry over CaCl2, filter, evaporate on a steam bath and distil the residue from a Claisen flask or through a short column collecting the middle fraction, and seal immediately in a glass vial, otherwise the colourless liquid becomes yellow. The alkali insoluble materials consist of diphenylselenide (b 167o/16mm) and diphenyldiselenide, m 63o (from EtOH). TOXIC, use rubber gloves. It has a foul odour. [Foster Org Synth Coll Vol III 771 1955, Beilstein 6 III 1104, 1110, 6 IV 1777.]
Spectrum DetailBack Directory
[Spectrum Detail]

PHENYLSELENOL(645-96-5)1HNMR
PHENYLSELENOL(645-96-5)IR
PHENYLSELENOL(645-96-5)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Phenylselenol, 98%(645-96-5)
[Alfa Aesar]

Phenylselenol, 90+%(645-96-5)
[Sigma Aldrich]

645-96-5(sigmaaldrich)
[TCI AMERICA]

Benzeneselenol,>95.0%(GC)(645-96-5)
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