Phenyl ethenesulfonate

HCID 564920CAS 1562-34-1

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Grundinformationen

Standard-SMILES: C=CS(=O)(=O)Oc1ccccc1
InChIKey: CILDJVVXNMDAGY-UHFFFAOYSA-N
Summenformel: C8H8O3S
Durchschnittliche Molmasse: 184,21 g/mol
Monoisotopische Masse: 184,01941529

Namen und Bezeichner

Bevorzugter Name: Phenyl ethenesulfonate
IUPAC: phenyl ethenesulfonate
Englischer Name: Phenyl vinylsulfonate
Summenformel: C8H8O3S
Molmasse: 184.21

Namen und Synonyme

phenyl ethenesulfonatePhenyl vinylsulfonatephenyl ethene-1-sulfonateEthenesulfonic acid, phenyl esterHN14RW9PVPUNII-HN14RW9PVPDTXSID10340464RefChem:172957DTXCID30291545625-763-2CILDJVVXNMDAGY-UHFFFAOYSA-N1562-34-1

Weitere Namen anzeigen

Phenyl vinylsulfonate 95%VINYLSULFONIC ACID PHENYL ESTEREthene-1-sulfonic acid phenyl esterPhenyl ethylenesulfonate, Vinylsulfonic acid phenyl ester

Phenyl ethylenesulfonateEthenesulfonic acid phenyl esterMFCD00012206Phenyl vinylsulfonate, 95%BAA56234CS-W004160DB08433s10559

Datenbank-Bezeichner

CAS: 1562-34-1
PubChem CID: 564920
DTXSID: DTXSID10340464
UNII: HN14RW9PVP
EC Number: 625-763-2
Nikkaji: J265.460A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 51,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 232

Physikochemische Eigenschaften

Schmelzpunkt: 38 · 38-42 °C(lit.)
Siedepunkt: 44 · 44-46 °C2 mm Hg(lit.)
Dichte: 1.3761 · 1.3761 (rough estimate)
Brechungsindex: 1.5151 · 1.5151 (estimate)
Flammpunkt: 230 °F · >230 °F
storage temp.: -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
Löslichkeit: Chloroform (Slightly), DMSO (Slightly)
Aggregatzustand: Solid
Farbe: White to Off-White
BRN: 2044718 · 2044718
Stabilität: Light Sensitive
InChI: 1S/C8H8O3S/c1-2-12(9,10)11-8-6-4-3-5-7-8/h2-7H,1H2
InChIKey: CILDJVVXNMDAGY-UHFFFAOYSA-N
SMILES: C=CS(=O)(=O)Oc1ccccc1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.