3-(Hydroxymethyl)-1lambda6-thiolane-1,1-dione

HCID 3694463

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Grundinformationen

CAS: 17236-20-3
Standard-SMILES: O=S1(=O)CCC(CO)C1
InChIKey: PJKMZHYNDJRIHG-UHFFFAOYSA-N
Summenformel: C5H10O3S
Durchschnittliche Molmasse: 150,2 g/mol
Monoisotopische Masse: 150,03506535

Namen und Bezeichner

Bevorzugter Name: 3-(Hydroxymethyl)-1lambda6-thiolane-1,1-dione
IUPAC: (1,1-dioxothiolan-3-yl)methanol
Englischer Name: 3-Methyl pyrlidine
Summenformel: C5H10O3S
Molmasse: 150.2

Namen und Synonyme

17236-20-33-(hydroxymethyl)-1lambda6-thiolane-1,1-dioneRefChem:495276818-126-73-Methyl pyrlidine3-(hydroxymethyl)tetrahydrothiophene 1,1-dioxide(1,1-dioxidotetrahydro-3-thienyl)methanol(1,1-dioxothiolan-3-yl)methanolMFCD030380323-Methylpyrlidine(1,1-Dioxo-tetrahydrothiophen-3-yl)methanol3-Thiophenemethanol, tetrahydro-, 1,1-dioxide

Weitere Namen anzeigen

3-(hydroxymethyl)-1-thiolane-1,1-dione3-Thiophenemethanol, tetrahydro-, 1,1-dioxide (8CI, 9CI, ACI)

SCHEMBL283856PJKMZHYNDJRIHG-UHFFFAOYSA-NSAA236203-(hydroxymethyl)thiolane-1,1-dioneAKOS002275036AKOS016047287AT13046BS-37386

Datenbank-Bezeichner

CAS: 17236-20-3
PubChem CID: 3694463
EC Number: 818-126-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,7
Polarare Oberfläche (TPSA): 62,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 177

Physikochemische Eigenschaften

Siedepunkt: 372.6 · 372.6±15.0 °C(Predicted)
Dichte: 1.319 · 1.319±0.06 g/cm3(Predicted)
pka: 14.38 · 14.38±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 4 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.