4H,5H,6H-cyclopenta[b]thiophen-4-one

HCID 1958632CAS 5650-51-1

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Grundinformationen

Standard-SMILES: O=C1CCc2sccc21
InChIKey: KOBLGOHFGYWCRC-UHFFFAOYSA-N
Summenformel: C7H6OS
Durchschnittliche Molmasse: 138,19 g/mol
Monoisotopische Masse: 138,01393598

Namen und Bezeichner

Bevorzugter Name: 4H,5H,6H-cyclopenta[b]thiophen-4-one
IUPAC: 5,6-dihydrocyclopenta[b]thiophen-4-one
Englischer Name: AKOS BB-9698
Summenformel: C7H6OS
Molmasse: 138.19

Namen und Synonyme

4H,5H,6H-cyclopenta[b]thiophen-4-one4H,5H,6H-cyclopenta(b)thiophen-4-oneRefChem:527210823-209-65650-51-15,6-dihydro-4H-cyclopenta[b]thiophen-4-one5,6-dihydrocyclopenta[b]thiophen-4-one5,6-dihydro-cyclopenta[b]thiophen-4-oneMFCD00757271AKOS BB-96985,6-Dihydrocyclopenta(b)thiophen-4-one4H-Cyclopenta[b]thiophen-4-one, 5,6-dihydro-

Weitere Namen anzeigen

5,6-Dihydro-4H-cyclopenta[b]thiophen-4-one, 97+%

SCHEMBL1747122DTXSID90365716KOBLGOHFGYWCRC-UHFFFAOYSA-NFAA65051AKOS003606949SB376955,6-dihydrocyclopenta[b]thiophene-4-one5,6-Dihydrocyclopenta(b )thiophen-4-one

Datenbank-Bezeichner

CAS: 5650-51-1
PubChem CID: 1958632
DTXSID: DTXSID90365716
EC Number: 823-209-6
Nikkaji: J716.250B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 45,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 144

Physikochemische Eigenschaften

Schmelzpunkt: 115 · 115-117℃
Siedepunkt: 240 ℃ · 240℃
Dichte: 1.322 · 1.322
Flammpunkt: 99 ℃ · 99℃
storage temp.: 2 · 2-8°C(protect from light)

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.