ChemicalBook--->CAS DataBase List--->16212-05-8

16212-05-8

16212-05-8 Structure

16212-05-8 Structure
IdentificationMore
[Name]

Allyl phenyl sulfone
[CAS]

16212-05-8
[Synonyms]

ALLYL PHENYL SULFONE
ALLYL PHENYL SULPHONE
ALLYLSULFONYLBENZENE
(allylsulphonyl)benzene
Phenyl allyl sulfone.
(2-propenylsulfonyl)-benzen
Allyl Phenyl sulone
sulfone, allyl phenyl
Benzene, (2-propenylsulfonyl)-
Prop-2-enylsulfonylbenzene
3-(Phenylsulfonyl)-1-propene
Phenyl (2-propenyl) sulfone
Phenyl 2-propenyl sulfone
[EINECS(EC#)]

240-338-8
[Molecular Formula]

C9H10O2S
[MDL Number]

MFCD00014739
[Molecular Weight]

182.24
[MOL File]

16212-05-8.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS TO FAINTLY YELLOW LIQUID
[Boiling point ]

110-113 °C/0.5 mmHg (lit.)
[density ]

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

n20/D 1.548(lit.)
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[form ]

clear liquid
[color ]

Colorless to Orange to Green
[Water Solubility ]

insol water; sol most organic solvents.
[Sensitive ]

Light Sensitive
[BRN ]

1863561
[InChI]

InChI=1S/C9H10O2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h2-7H,1,8H2
[InChIKey]

KYPIULIVYSQNNT-UHFFFAOYSA-N
[SMILES]

C1(S(CC=C)(=O)=O)=CC=CC=C1
[CAS DataBase Reference]

16212-05-8(CAS DataBase Reference)
[EPA Substance Registry System]

16212-05-8(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[RTECS ]

WR2400000
[F ]

8-10
[TSCA ]

T
[HazardClass ]

IRRITANT
[HS Code ]

2930909899
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Toxicity]

mouse,LD50,intravenous,320mg/kg (320mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02689,
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Allyl phenyl sulfone(16212-05-8).msds
Hazard InformationBack Directory
[Chemical Properties]

CLEAR COLOURLESS TO FAINTLY YELLOW LIQUID
[Uses]

Possible usages of allyl phenyl sulfone:
  • It can undergo isomerization by the nonionic proazaphosphatrane catalysts under mild reaction conditions.
  • It can react with epoxymesylate to give cycloalkane derivative. This method has been employed in the synthesis of marine eicosanoid bacillariolides I-III.
  • It can undergo electrocatalytic additions to vinyl sulfones catalyzed by an electrogenerated base.

[Reactivity Profile]

Allyl phenyl sulfone could be used as metalated derivatives serve as ambident nucleophiles; reacts as a 1,1-allylic dianion or 1,1-allylic dipole equivalent[1].
[Synthesis]

The Preparative Method of Allyl phenyl sulfone: from Allyl Bromide and benzenesulfinate in ethanol according to the original procedure is most straightforward and avoids the use of strong-smelling thiols.
[References]

1. (a) Magnus, P. D. T 1977, 33, 2019. (b) Block, E. Reactions of Organosulfur Compounds; Academic Press: New York, 1978. (c) Biellmann, J.-F.; Ducep, J.-B. OR 1982, 27, 1.
2. Otto, R. LA 1894, 283, 18; Cope, A. C.; Morrison, D. E.; Field, L. JACS 1950, 72, 59. Vennstra, G. E.; Zwaneburg, B. S 1975, 519.
Spectrum DetailBack Directory
[Spectrum Detail]

Allyl phenyl sulfone(16212-05-8)MS
Allyl phenyl sulfone(16212-05-8)1HNMR
Allyl phenyl sulfone(16212-05-8)13CNMR
Allyl phenyl sulfone(16212-05-8)IR1
Allyl phenyl sulfone(16212-05-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Allyl phenyl sulfone, 98%(16212-05-8)
[Alfa Aesar]

Allyl phenyl sulfone, 98%(16212-05-8)
[Sigma Aldrich]

16212-05-8(sigmaaldrich)
[TCI AMERICA]

Allyl Phenyl Sulfone,>95.0%(GC)(16212-05-8)
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