CAS 13761-32-5 2-Acetyldibenzofuran (HCID 293028)

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Basic information

CAS: 13761-32-5
Standard SMILES: CC(=O)c1ccc2oc3ccccc3c2c1
InChIKey: QZSVCHFRQANVHN-UHFFFAOYSA-N
Molecular formula: C14H10O2
Average molar mass: 210.23 g/mol
Monoisotopic mass: 210.06807956

Names & identifiers

Preferred name: 2-Acetyldibenzofuran
IUPAC: 1-dibenzofuran-2-ylethanone
English name: 2-Acetyldibenzofuran
Molecular formula: C14H10O2
Molecular weight: 210.23

Names & synonyms

2-acetyldibenzofuranRefChem:462862659-366-013761-32-51-(dibenzo[b,d]furan-2-yl)ethanone1-dibenzofuran-2-ylethanone1-dibenzo[b,d]furan-2-ylethanoneEthanone, 1-(2-dibenzofuranyl)-1-(Dibenzo[b,d]furan-2-yl)ethan-1-oneMFCD000876351-{8-oxatricyclo[7.4.0.0(2),?]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl}ethan-1-one1-(2-dibenzofuranyl)Ethanone

Show more names

NSC159315SCHEMBL1283826SCHEMBL30765635DTXSID40303608QZSVCHFRQANVHN-UHFFFAOYSA-NAKOS009031377HY-W395410NSC-159315

Database identifiers

CAS: 13761-32-5
PubChem CID: 293028
DTXSID: DTXSID40303608
EC Number: 659-366-0
Nikkaji: J405.004E

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 30.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 286

Physicochemical properties

Melting point: 203 °C · 203 °C
Boiling point: 200 °C · 200 °C(Press: 15 Torr)
Density: 1.222 · 1.222±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.