Phenylvinylsulfon

Phenyl vinyl sulfone

HCID 79664CAS 5535-48-8

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Grundinformationen

Standard-SMILES: C=CS(=O)(=O)c1ccccc1
InChIKey: UJTPZISIAWDGFF-UHFFFAOYSA-N
Summenformel: C8H8O2S
Durchschnittliche Molmasse: 168,21 g/mol
Monoisotopische Masse: 168,0245005

Überblick

RN and structure in first source

Namen und Bezeichner

Bevorzugter Name: Phenyl vinyl sulfone
IUPAC: ethenylsulfonylbenzene
Lokaler Name: Phenylvinylsulfon
Englischer Name: Phenyl vinyl sulfone
Summenformel: C8H8O2S
Molmasse: 168.21

Namen und Synonyme

Phenyl vinyl sulfone5535-48-8(ethenylsulfonyl)benzeneVinylsulfonylbenzeneBenzene, (ethenylsulfonyl)-URI-744NSC-3539431973457VYDTXSID50203903PVS cpdRefChem:861643DTXCID40126394

Weitere Namen anzeigen

URI 744PhenyVinySulfonePHENYLVINYLSULTONEPhenyl vinyl sufoneVINYL PHENYL SULFONEPhenylVinylSulfone>Phenylvinylsulfone,99+%

226-890-2(Vinylsulfonyl)benzene(ethenesulfonyl)benzeneethenylsulfonylbenzeneSulfone, phenyl vinylPhenyl vinyl sulphoneMFCD00007554phenyl vinylsulfone

Datenbank-Bezeichner

CAS: 5535-48-8
PubChem CID: 79664
DTXSID: DTXSID50203903
ChEMBL: CHEMBL165058
UNII: 31973457VY
EC Number: 226-890-2
Nikkaji: J102.264D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 42,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 217

Physikochemische Eigenschaften

Schmelzpunkt: 67 · 67-69 °C (lit.)
Siedepunkt: 267.16 °C · 267.16°C (rough estimate)
Dichte: 1.266 · 1.2660 (rough estimate)
Brechungsindex: 1.509 · 1.5090 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: It is soluble in most common organic solvents.
Aggregatzustand: Solid
Farbe: White
BRN: 1906894 · 1906894
Stabilität: Stable. Incompatible with strong oxidizing agents.
InChI: InChI=1S/C8H8O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2
InChIKey: UJTPZISIAWDGFF-UHFFFAOYSA-N
SMILES: C1(S(C=C)(=O)=O)=CC=CC=C1
CAS Datenbank: 5535 · 5535-48-8(CAS DataBase Reference)
NIST chemische Informationen: Benzene, (ethenylsulfonyl)-(5535-48-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2.1% (1 of 48) of reports.

Danger

H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationBenzene, (ethenylsulfonyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (83.3%)

Sicherheitsdaten

wgk: 3
hs_code: 29309090
risk_code: 36/37/38-43-41-37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-37/39
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

VerwendenAs common reagent, Phenyl vinyl sulfone is used in a variety of cycloaddition reactions to form cyclopropanes,1 cyclohexenes,2,3 and cyclooctadienes.