Dinaphtho(2,1-b:1',2'-d)furan
Basic information
- CAS
194-63-8- Standard SMILES
c1ccc2c(c1)ccc1oc3ccc4ccccc4c3c12- InChIKey
QIMOZEUDRUTIBS-UHFFFAOYSA-N- Molecular formula
- C20H12O
- Average molar mass
- 268.3 g/mol
- Monoisotopic mass
- 268.088815
Names & identifiers
- Preferred name
- Dinaphtho(2,1-b:1',2'-d)furan
- IUPAC
- 12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
- English name
- Dinaphtho[1,2-b:1',2'-d]furan
- Molecular formula
- C20H12O
- Molecular weight
- 268.31
Names & synonyms
Dinaphtho[2,1-b:1',2'-d]furan194-63-8Dinaphtho(2,1-b:1',2'-d)furan1,1'-Binaphthylene 2,2'-oxideYA5EYQ6A72NSC-5074967-Oxa-7H-dibenzo(c,g)fluorenebeta-Dinaphthylene oxideUNII-YA5EYQ6A72DTXSID80325445.BETA.-DINAPHTHYLENE OXIDERefChem:134427
Show more names
1',2'-D]FURANDINAPHTHO[1,2-B1',2'-d]furan in tolueneDinaphtho[1,2-b:1',2'-d]furanDinaphtol[1,2-b:1`,2`-d]furanDinaphtho[2,1-b:1',2'-d]furan[194-63-8]dinaphtho[2,1-b:1',2'-d]furanChemical Formuladinaphtho[2,1-b:1',2'-d]furanChemical Formula: C20H12O Exact Mass: 268.09 Molecular Weight: 268.31 m/z: 268.09 (100.0%), 269.09 (21.7%), 270.10 (2.3%)
DTXCID60276562QIMOZEUDRUTIBS-UHFFFAOYSA-NMFCD3083390812-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaeneNSC507496SCHEMBL415466SCHEMBL18221910SCHEMBL30091394
Database identifiers
- CAS
194-63-8- PubChem CID
- 350145
- DTXSID
DTXSID80325445- UNII
- YA5EYQ6A72
- Nikkaji
- J851.517D
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Melting point
- 159 °C · 159 °C
- Boiling point
- 486.9 · 486.9±14.0 °C(Predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- FDA UNII
- 5 EYQ6A72 · YA5EYQ6A72
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 501 · P501-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405
- HS Code
- 2932.99 · 2932.99.7000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2932.99.7000
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P501-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405
Chemistry & industry
Applications
UsesDinaphtho[2,1-b:1'',2''-d]furan can induce aryl hydrocarbon receptor-mediated and estrogen receptor-mediated activities. It can also modulate cell proliferation.
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
1 records
Compound notes
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