CAS 146796-02-3 2,3-Dihydrothieno(3,4-b)-1,4-dioxin-2-methanol (HCID 16067438)

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Grundinformationen

CAS: 146796-02-3
Standard-SMILES: OCC1COc2cscc2O1
InChIKey: YFCHAINVYLQVBG-UHFFFAOYSA-N
Summenformel: C7H8O3S
Durchschnittliche Molmasse: 172,2 g/mol

Namen und Bezeichner

Bevorzugter Name: 2,3-Dihydrothieno(3,4-b)-1,4-dioxin-2-methanol
IUPAC: 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethanol
Englischer Name: HYDROXYMETHYL EDOT
Summenformel: C7H8O3S
Molmasse: 172.2

Namen und Synonyme

2,3-dihydrothieno[3,4-b]-1,4-dioxin-2-methanol2,3-Dihydrothieno(3,4-b)-1,4-dioxin-2-methanolRefChem:442405873-235-7146796-02-3Hydroxymethyl EDOT(2,3-Dihydrothieno[3,4-b][1,4]dioxin-2-yl)methanol2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethanolEDT-methanolMFCD11045357Thieno[3,4-b]-1,4-dioxin-2-methanol, 2,3-dihydro-{2H,3H-thieno[3,4-b][1,4]dioxin-2-yl}methanol

Weitere Namen anzeigen

EDOT-OHThieno[3,4-b]-1,4-dioxin-2-methanolHydroxyMethyl EDOT 95%2H,3H-THIENO[3,4-B][1,4]DIOXIN-2-YLMETHANOL2,3-dihydro-Thieno[3,4-b]-1,4-dioxin-2-methanol

Thieno[3,4-b]-1,4-dioxin-2-methanol, 2,3-dihydroCS-W017597194595-04-5(2,3-dihydro-thieno(3,4-b][1,4]dioxin-2-yl)-methanol(2,3-dihydro-thieno[3, 4-b][1,4]dioxin-2-yl)-methanol(2,3-dihydro-thieno[3,4-b][1,4]dioxin-2-yl)-methanolFT-0746147Hydroxymethyl EDOT, 95%

Datenbank-Bezeichner

CAS: 146796-02-3、194595-04-5
PubChem CID: 16067438
DTXSID: DTXSID301246725
EC Number: 873-235-7
Nikkaji: J1.509.285H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 66,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 142

Physikochemische Eigenschaften

Schmelzpunkt: 42 · 42-46 °C
Siedepunkt: 120 °C/0.05mmHg · 120°C/0.05mmHg(lit.)
Dichte: 1.362 · 1.362±0.06 g/cm3(Predicted)
Flammpunkt: 110 °C · 110 °C
storage temp.: 2 · 2-8°C
pka: 14.1 · 14.10±0.10(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Brown
InChI: InChI=1S/C7H8O3S/c8-1-5-2-9-6-3-11-4-7(6)10-5/h3-5,8H,1-2H2
InChIKey: YFCHAINVYLQVBG-UHFFFAOYSA-N
SMILES: O1C(CO)COC2=CSC=C12

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.