Grundinformationen
- Standard-SMILES
Oc1cccc2sccc12- InChIKey
BMRZGYNNZTVECK-UHFFFAOYSA-N- Summenformel
- C8H6OS
- Durchschnittliche Molmasse
- 150,2 g/mol
- Monoisotopische Masse
- 150,01393581
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- Benzo(b)thiophen-4-ol
- IUPAC
- 1-benzothiophen-4-ol
- Lokaler Name
- Benzo[b]thiophen-4-ol
- Englischer Name
- benzo[b]thiophene-4-ol
- Summenformel
- C8H6OS
- Molmasse
- 150.2
Namen und Synonyme
benzo[b]thiophen-4-olbenzo(b)thiophen-4-olbenzo[b)thiophen-4-olRefChem:118210Benzo[b]thiophene-4-ol3610-02-41-Benzothiophen-4-ol1-Benzothiophene-4-ol4-Hydroxybenzo[b]thiophene4-HYDROXYBENZOTHIOPHENEBenzo(b)thiophene-4-olMFCD01663547
Weitere Namen anzeigen
SKL548benzothiophen-4-ol4-Hydroxy-1-thiaindene4-Hydroxy-1-benzothiopheneBenzo[b]thiophene-4-ol - [B72350]
4-Hydroxybenzo(b)thiopheneS373YK9TXMBRN 01149044-benzothienolEINECS 222-776-14-hydroxybenzo-thiophene1-Benzothiophen-4-ol #UNII-S373YK9TXM
Datenbank-Bezeichner
- CAS
3610-02-4- PubChem CID
- 19217
- DTXSID
DTXSID10189678- UNII
- S373YK9TXM
- EC Number
- 222-776-1
- Nikkaji
- J67.797C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 48,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 126
Physikochemische Eigenschaften
- Schmelzpunkt
- 80 · 80-81℃
- Siedepunkt
- 241.75 °C · 241.75°C (rough estimate)
- Dichte
- 1.347 · 1.347
- Brechungsindex
- 1.5831 · 1.5831 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Aggregatzustand
- solid
- pka
- 9.23 · 9.23±0.40(Predicted)
- Farbe
- Off-white
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.
Warning
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)
Sicherheitsdaten
- hs_code
- 2934999090
Chemie und Industrie
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