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5535-48-8

Basic Information
CAS No.: 5535-48-8
Name: Phenyl vinyl sulfone
Molecular Structure:
Molecular Structure of 5535-48-8 (Phenyl vinyl sulfone)
Formula: C8H8O2S
Molecular Weight: 168.21
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
Solubility:
Appearance: off-white or tan powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38-43
Safety: 26-36/37/39-37/39
Transport Information:
PSA: 42.52000
LogP: 2.68460
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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