Grundinformationen
- Standard-SMILES
CCCCc1cc2ccccc2o1- InChIKey
OVJKFJDEVKABNF-UHFFFAOYSA-N- Summenformel
- C12H14O
- Durchschnittliche Molmasse
- 174,24 g/mol
- Monoisotopische Masse
- 174,10446507
Namen und Bezeichner
- Bevorzugter Name
- 2-Butylbenzofuran
- IUPAC
- 2-butyl-1-benzofuran
- Lokaler Name
- 2-Butylbenzofuran
- Englischer Name
- 2-Butylbenzofuran
- Summenformel
- C12H14O
- Molmasse
- 174.24
Namen und Synonyme
2-Butylbenzofuran4265-27-4Benzofuran, 2-butyl-EINECS 224-250-7DTXSID90195378RefChem:468130DTXCID00117869224-250-72-Butyl-1-benzofuran2-n-Butylbenzo[b]furan2-Butyl-benzofuran2-n-Butylbenzofuran
Weitere Namen anzeigen
2-ButylButylbenzofurane-butylbenzofuran2-butyl-benzofura2-Butylbenzofurane2-Buthylbenzo【b】furan2-Butylbenzofuran >
2-butylbenzo[b]furanMFCD000058512-n-butylbenzofuraneSCHEMBL1287509OVJKFJDEVKABNF-UHFFFAOYSA-AC-18725B1824EN300-20331
Datenbank-Bezeichner
- CAS
4265-27-4- PubChem CID
- 77951
- DTXSID
DTXSID90195378- UNII
- 3KA2P78NH7
- EC Number
- 224-250-7
- Nikkaji
- J150.055D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,1
- Polarare Oberfläche (TPSA)
- 13,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 155
Physikochemische Eigenschaften
- Siedepunkt
- 114 · 114-116°C 8mm
- Dichte
- 0 · 0,987 g/cm3
- Brechungsindex
- 1.533 · 1.5330
- Flammpunkt
- 101 °C · 101°C
- Aggregatzustand
- clear liquid
- Farbe
- Light yellow to Yellow
- Wichte
- 0.987 · 0.987
- BRN
- 1365111 · 1365111
- InChI
- InChI=1S/C12H14O/c1-2-3-7-11-9-10-6-4-5-8-12(10)13-11/h4-6,8-9H,2-3,7H2,1H3
- InChIKey
- OVJKFJDEVKABNF-UHFFFAOYSA-N
- SMILES
- O1C2=CC=CC=C2C=C1CCCC
- CAS Datenbank
- 4265 · 4265-27-4(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 13% (6 of 46) of reports.
H413 (84.8%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 05-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18129
Hazard Classes and CategoriesAquatic Chronic 4 (84.8%)
Sicherheitsdaten
- hs_code
- 2932990090
- safety_code
- 24/25
Chemie und Industrie
Anwendungen
Verwenden2-Butylbenzofuran is used in process for prepn. of Amiodarone key intermediate 2-butyl-3-(3,5-diiodo-4-hydroxybenzoyl)benzofuran.
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