2-Butyl-5-nitrobenzofuran

HCID 9837358CAS 133238-87-6

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Grundinformationen

Standard-SMILES: CCCCc1cc2cc([N+](=O)[O-])ccc2o1
InChIKey: XGAJABPTUOLUAE-UHFFFAOYSA-N
Summenformel: C12H13NO3
Durchschnittliche Molmasse: 219,24 g/mol
Monoisotopische Masse: 219,08954328

Namen und Bezeichner

Bevorzugter Name: 2-Butyl-5-nitrobenzofuran
IUPAC: 2-butyl-5-nitro-1-benzofuran
Englischer Name: 2-Butyl-5-nitrobenzofuran
Summenformel: C12H13NO3
Molmasse: 219.24

Namen und Synonyme

2-BUTYL-5-NITROBENZOFURAN133238-87-62-butyl-5-nitro-1-benzofuranDTXSID40431576RefChem:468125DTXCID30382407603-723-5Benzofuran, 2-butyl-5-nitro-2-n-Butyl-5-nitrobenzofuranMFCD145256242-(n-butyl)-5-nitrobenzofuranSCHEMBL422399

Weitere Namen anzeigen

Dronedarone Impurity 33Dronedarone Intermediate 62-Butyl-5-NIitrobenzofuran5-nitro-2-butyl benzofuran2-Butyl-5-nitrobenzofuran (BNB-IV)2-Butyl-5-nitrobenzofuran CAS 133238-87-6

2-n-butyl 5-nitro benzofuran2-n-butyl-5-nitro-benzofuranAKOS015901846GS-0917SY0337532-butyl-5-nitro-benzofuranDronedarone Impurity 45FT-0664147

Datenbank-Bezeichner

CAS: 133238-87-6
PubChem CID: 9837358
DTXSID: DTXSID40431576
UNII: 224SAH69HN
EC Number: 603-723-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,9
Polarare Oberfläche (TPSA): 59 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 251

Physikochemische Eigenschaften

Siedepunkt: 329.7 · 329.7±22.0 °C(Predicted)
Dichte: 1.191 · 1.191
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
Farbe: Yellow
InChI: InChI=1S/C12H13NO3/c1-2-3-4-11-8-9-7-10(13(14)15)5-6-12(9)16-11/h5-8H,2-4H2,1H3
InChIKey: XGAJABPTUOLUAE-UHFFFAOYSA-N
SMILES: O1C2=CC=C([N+]([O-])=O)C=C2C=C1CCCC

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.