2-(Phenylsulfonyl)ethanol

HCID 30202CAS 20611-21-6

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Grundinformationen

Standard-SMILES: O=S(=O)(CCO)c1ccccc1
InChIKey: PQVYYVANSPZIKE-UHFFFAOYSA-N
Summenformel: C8H10O3S
Durchschnittliche Molmasse: 186,23 g/mol
Monoisotopische Masse: 186,03506535

Namen und Bezeichner

Bevorzugter Name: 2-(Phenylsulfonyl)ethanol
IUPAC: 2-(benzenesulfonyl)ethanol
Englischer Name: 2-(PHENYLSULFONYL)ETHANOL
Summenformel: C8H10O3S
Molmasse: 186.23

Namen und Synonyme

2-(Phenylsulfonyl)ethanolETHANOL, 2-(PHENYLSULFONYL)-BRN 1952741Phenyl-2-hydroxyethyl sulfoneDTXSID901746234-06-00-01494 (Beilstein Handbook Reference)RefChem:84866DTXCID0097114626-035-7PQVYYVANSPZIKE-UHFFFAOYSA-N20611-21-62-(Benzenesulfonyl)ethanol

Weitere Namen anzeigen

2-(Phenylsulfobyl)Ethanol2-(phenylsulfonyl)-ethano2-Hydroxyethylphenyl sulfone2-(Phenylsulfonyl)ethanol,97%Phenyl(2-hydroxyethyl) sulfone

2-benzenesulfonyl-ethanolFenyl-2-hydroxyethylsulfon2-(phenylsulphonyl)ethanolMFCD001341792-Phenylsulfonylethanol2-(Benzenesulfonyl)Ethan-1-Ol2-(phenylsulfonyl) ethanol2-(Phenylsulfonyl)-ethanol

Datenbank-Bezeichner

CAS: 20611-21-6
PubChem CID: 30202
DTXSID: DTXSID90174623
EC Number: 626-035-7
Nikkaji: J34.769H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 62,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 209

Physikochemische Eigenschaften

Schmelzpunkt: 121.5 °C · 121.5 °C
Siedepunkt: 177 °C · 177 °C (2 mmHg)
Dichte: 1.557 g/mL · 1.557 g/mL at 25 °C(lit.)
Brechungsindex: 1.554 · 1.554-1.556
Flammpunkt: 113 °C · 113 °C
pka: 13.26 · 13.26±0.10(Predicted)
Wichte: 1.557 · 1.557
CAS Datenbank: 20611 · 20611-21-6

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 41 reports by companies from 4 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.