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1822-73-7

Basic Information
CAS No.: 1822-73-7
Name: PHENYL VINYL SULFIDE
Article Data: 124
Molecular Structure:
Molecular Structure of 1822-73-7 (PHENYL VINYL SULFIDE)
Formula: C8H8S
Molecular Weight: 136.218
Synonyms: Sulfide, phenylvinyl (6CI,7CI,8CI);(Ethenylthio)benzene;NSC 39625;Phenyl vinyl thioether;Phenylthioethene;Phenylthioethylene;Vinyl phenylsulfide;Vinylthiobenzene;
EINECS: 217-351-2
Density: 1.031 g/cm3
Boiling Point: 199.054 °C at 760 mmHg
Flash Point: 45.556 °C
Appearance: clear slightly yellowish liquid
Hazard Symbols: R10:;
Risk Codes: 10
Safety: 16
Transport Information: UN 1993 3/PG 3
PSA: 25.30000
LogP: 2.92220
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Specification

The CAS register number of Phenyl vinyl sulfide is 1822-73-7. It also can be called as Benzene, (ethenylthio)- and the IUPAC name about this chemical is ethenylsulfanylbenzene. The molecular formula about this chemical is C8H8S and the molecular weight is 136.21. This chemical is flammable. When you are using it, please keep away from sources of ignition.

Physical properties about Phenyl vinyl sulfide are: (1)ACD/LogP: 2.04; (2)ACD/LogD (pH 5.5): 2.04; (3)ACD/LogD (pH 7.4): 2.04; (4)ACD/BCF (pH 5.5): 20.81; (5)ACD/BCF (pH 7.4): 20.81; (6)ACD/KOC (pH 5.5): 305.66; (7)ACD/KOC (pH 7.4): 305.66; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 25.3Å2; (10)Index of Refraction: 1.577; (11)Molar Refractivity: 43.79 cm3; (12)Molar Volume: 132 cm3; (13)Polarizability: 17.36x10-24cm3; (14)Surface Tension: 36.7 dyne/cm; (15)Flash Point: 45.6 °C; (16)Enthalpy of Vaporization: 41.75 kJ/mol; (17)Boiling Point: 199.1 °C at 760 mmHg; (18)Vapour Pressure: 0.492 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,2-bis-phenylsulfanyl-ethane. This reaction will need reagent BuLi and solvent tetrahydrofuran, hexamethylphosphoric acid triamide. The reaction time is 3 hour(s) with reaction temperature of -78℃. The yield is about 52%.

Uses of Phenyl vinyl sulfide: it can be used to produce ethenesulfonyl-benzene. This reaction will need reagent aqueous H2O2.

You can still convert the following datas into molecular structure:
(1)SMILES: S(\C=C)c1ccccc1
(2)InChI: InChI=1/C8H8S/c1-2-9-8-6-4-3-5-7-8/h2-7H,1H2
(3)InChIKey: GMPDOIGGGXSAPL-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C8H8S/c1-2-9-8-6-4-3-5-7-8/h2-7H,1H2
(5)Std. InChIKey: GMPDOIGGGXSAPL-UHFFFAOYSA-N