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5535-48-8

Basic Information
CAS No.: 5535-48-8
Name: Phenyl vinyl sulfone
Article Data: 97
Molecular Structure:
Molecular Structure of 5535-48-8 (Phenyl vinyl sulfone)
Formula: C8H8O2S
Molecular Weight: 168.216
Synonyms: (Vinylsulfonyl)benzene;Sulfone, phenyl vinyl;URI 744;PHENYL VINYL SULPHONE;PHENYLVINYLSULTONE;PHENYL VINYL SULFONE;VINYL PHENYL SULFONE;Eletriptan intermediate 1
EINECS: 226-890-2
Density: 1.177 g/cm3
Melting Point: 67-69 °C(lit.)
Boiling Point: 314.4 °C at 760 mmHg
Flash Point: 178.6 °C
Appearance: off-white or tan powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38-43
Safety: 26-36/37/39-37/39
PSA: 42.52000
LogP: 2.68460
Synthetic route
938-09-0

2-chloroethyl phenyl sulfone

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 20 - 24℃; for 20h;100%
With benzylamine In acetonitrile at 25℃; for 0.525h; Rate constant; different amines, amine concentrations and reaction times;
With sodium hydroxide
1822-73-7

phenylthioethylene

Conditions
ConditionsYield
With C4H9N2O9W In methanol; water at 20℃; for 4h; chemoselective reaction;99%
With selenium(IV) oxide; dihydrogen peroxide In water; ethyl acetate chemoselective reaction;99%
With dihydrogen peroxide In water at 80℃; for 7.33333h; Catalytic behavior; Reagent/catalyst; Green chemistry;98%
20451-53-0

Phenyl vinyl sulfoxide

Conditions
ConditionsYield
With dihydrogen peroxide; [(η5-C5Me5)Mo(CO)3Cl] In acetonitrile at -20 - 20℃; for 4h;98%
With dihydrogen peroxide In water; acetic acid at 20℃; for 12h;97%
With n-C4F9; perfluoro-cis-2,3-dialkyloxaziridine; n-C3F7 In chloroform; trichlorofluoromethane at -20℃; for 0.25h;90%
With dihydrogen peroxide In acetic acid Ambient temperature; Yield given;
20611-21-6

2-(phenylsulfonyl)ethanol

Conditions
ConditionsYield
With methanesulfonyl chloride; triethylamine In dichloromethane at 20℃; for 6h; Dehydration;95%
Multi-step reaction with 2 steps
1: 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride; DMAP / CH2Cl2 / 12 h / 20 °C
2: aq. NaHCO3 / acetone / 12 h / 20 °C
View Scheme
Multi-step reaction with 2 steps
1: 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride; DMAP / CH2Cl2 / 12 h / 20 °C
2: aq. NaHCO3 / acetone / 12 h / 20 °C
View Scheme
With sulfuric acid Behandeln des Reaktionsgemisches mit Wasser und mit wss. Natronlauge;
65211-25-8

(1,2-dibromo-ethyl)-phenyl sulfone

Conditions
ConditionsYield
With triphenylphosphine In methanol at 25℃;92%
With triphenylphosphine In methanol at 25℃; Rate constant;92%
963-15-5

(Z)-1,2-bis(phenylsulfonyl)ethene

Conditions
ConditionsYield
With tri-n-butyl-tin hydride In dichloromethane for 0.0833333h; Ambient temperature;90%
With PtCl2Styr2; diphenylsilane In chloroform for 4h; Heating;15%
50-00-0

formaldehyd

17872-92-3

(phenylsulfonylmethyl)trimethylsilane

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran87%
With n-butyllithium 1.) hexane, THF, 0 deg C, 0.5 h, 2.) hexane, THF, room temperature; Yield given. Multistep reaction;
31469-08-6

ethane-1,2-disulfonyl chloride

100-58-3

phenylmagnesium bromide

Conditions
ConditionsYield
In tetrahydrofuran for 0.25h; Cooling with ice; stereospecific reaction;85%

(1-Bromo-2-methoxy-ethanesulfonyl)-benzene

B

25062-93-5

phenyl 2-methoxyethyl sulfone

Conditions
ConditionsYield
With methanol; triphenylphosphine at 25℃;A n/a
B 82%
With methanol; triphenylphosphine at 25℃; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.);A n/a
B 82%

C14H13BrO4S2

A

599-94-0

1,2-bis(phenylsulfonyl)ethane

Conditions
ConditionsYield
With methanol; triphenylphosphine at 25℃;A 80%
B n/a
With methanol; triphenylphosphine at 25℃; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.);A 80%
B n/a
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Specification

Phenyl vinyl sulfone(CAS NO.5535-48-8) is also named as (Vinylsulfonyl)benzene; (Vinylsulfonyl)benzol; Benzene, (ethenylsulfonyl)-; Ethenyl phenyl sulfone; Phenyl-vinylsulfon; Sulfone, phenyl vinyl; (Ethenylsulfonyl)benzene. Phenyl vinyl sulfone is off-white or tan powder. It has the  Molecular Formula of C8H8O2S and Molecular Weight of 168.21292. It belongs to the Product Categories of Pharmaceutical material and intermeidates; Sulfur Compounds (for Synthesis); Synthetic Organic Chemistry; Naphthyridine,Quinoline; Organic Building Blocks; Sulfones.

Physical properties about Phenyl vinyl sulfone are: (1)ACD/LogP: 1.126; (2)ACD/LogD (pH 5.5): 1.13; (3)ACD/LogD (pH 7.4): 1.13; (4)ACD/BCF (pH 5.5):4.22; (5)ACD/BCF (pH 7.4): 4.22; (6)ACD/KOC (pH 5.5): 97.58; (7)ACD/KOC (pH 7.4): 97.58; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.537 ; (11)Molar Refractivity: 44.597 cm3; (12)Molar Volume: 142.811 cm3 ; (13)Polarizability: 17.68 10-24cm3; (14)Surface Tension: 37.1389999389648 dyne/cm; (15)Density: 1.178 g/cm3; (16)Flash Point: 178.621 °C; (17)Enthalpy of Vaporization: 53.339 kJ/mol; (18)Boiling Point: 314.371 °C at 760 mmHg; (19)Vapour Pressure: 0.00100000004749745 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing, gloves and eye/face protection;
3. Wear suitable protective clothing and gloves;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C8H8O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2;
(2)InChIKey=UJTPZISIAWDGFF-UHFFFAOYSA-N;
(3)SmilesS(C=C)(=O)(=O)c1ccccc1