1-Benzothiophene-7-carbaldehyde

HCID 10702138

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Grundinformationen

CAS: 10134-91-5
Standard-SMILES: O=Cc1cccc2ccsc12
InChIKey: WSSVAOKEXMFMIO-UHFFFAOYSA-N
Summenformel: C9H6OS
Durchschnittliche Molmasse: 162,21 g/mol
Monoisotopische Masse: 162,01393581

Namen und Bezeichner

Bevorzugter Name: 1-Benzothiophene-7-carbaldehyde
IUPAC: 1-benzothiophene-7-carbaldehyde
Englischer Name: Benzo[b]thiophene-7-carbaldehyde
Summenformel: C9H6OS
Molmasse: 162.21

Namen und Synonyme

1-Benzothiophene-7-carbaldehydeRefChem:429644805-514-6benzo[b]thiophene-7-carbaldehyde10134-91-5Benzo[b]thiophene-7-carboxaldehydeMFCD08572207CHEMBL3358208Benzothiophene-7-carbaldehyde7-formylbenzothiophene7-benzothiophene-carbaldehydeSCHEMBL97430

Weitere Namen anzeigen

7-Formylbenzo[b]thiophene7-Benzothienylcarboxaldehydebenzo[b]thiophen-7-carbaldehydeBenzo[b]thiophene-7-carboxaldehyde97%Benzo[b]thiophene-7-carboxaldehyde 97%7-Formylbenzo[b]thiophene, 1-Benzothiophene-7-carboxaldehyde

benzo[b]thiophene-7-aldehydeSCHEMBL2261401Benzo[b]thiophene-7carboxaldehydeDTXSID70443647WSSVAOKEXMFMIO-UHFFFAOYSA-NBDBM50037720EBC-03413SBB087627

Datenbank-Bezeichner

CAS: 10134-91-5
PubChem CID: 10702138
DTXSID: DTXSID70443647
ChEMBL: CHEMBL3358208
EC Number: 805-514-6
Nikkaji: J1.885.553D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 45,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 158

Physikochemische Eigenschaften

Schmelzpunkt: 42 °C · 42 °C
Siedepunkt: 145 °C · 145 °C
Dichte: 1.3 · 1.300±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: solid
Farbe: Yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301+H311+H331 (50%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.