Dibenzofuran

• CAS: 132-64-9
• Catalog Number: ACM132649
• Category: Other Products
• Molecular Weight: 168.19
• Molecular Formula: C12H8O
• Description: Dibenzofuran is a colorless white crystalline solid. (NTP, 1992)
• Synonyms: Dibenzo[b,d]furan
• IUPAC Name: dibenzofuran
• Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3O2
• InChI: InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
• InChI Key: TXCDCPKCNAJMEE-UHFFFAOYSA-N
• Boiling Point: 549 °F at 760 mm Hg (NTP, 1992);287.0 °C;287 °C @ 760 mm Hg
• Melting Point: 187 to 189 °F (NTP, 1992);86.5 °C;86.5 °C
• Density: 1.0886 at 210 °F (NTP, 1992);1.0886 @ 99 °C
• Solubility: less than 1 mg/mL at 68° F (NTP, 1992);1.84e-05 M;Sol in alcohol and acetone; very soluble in ether;Readily soluble in benzene and acetic acid;In water, 3.1 mg/l @ 25 °C
• Color/Form: LEAF OR NEEDLES FROM ALCOHOL;WHITE CRYSTALS;Crystalline solid
• Complexity: 170
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• EC Number: 205-071-3
• Exact Mass: 168.0575
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heat of Vaporization: 66.4 kcal/mol at 130-140 °C
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• LogP: 4.12 (LogP);log Kow= 4.12
• Monoisotopic Mass: 168.0575
• NSC Number: 1245
• Odor: Weak, characteristic odor
• Other Experimental: Sublimeable, volatile in steam; dielectric constant = 3.0 at 100 °C;Enthalphy of sublimation = 84.42 kJ/mol;Heat of fusion = 2.27X10+7 J/kmol;Vapor pressure = 0.3310 Pa (2.48X10-3 mm Hg) at 25 °C /Sublimation vapor pressure/;Hydroxyl radical reaction rate constant = 3.90X10-12 cu cm/molecule-sec @ 25 °C
• Refractive Index: Index of refraction: 1.6079 @ 99 °C/D
• Rotatable Bond Count: 0
• Stability: This compound is sensitive to prolonged exposure to light.
• Topological Polar Surface Area: 13.1 Ų
• UNII: 8U54U639VI
• UN Number: 3077;3077
• Vapor Density: 5.8 (NTP, 1992) (Relative to Air);5.8 (Air= 1)
• Vapor Pressure: 0.00 mmHg;0.00248 mm Hg @ 25 °C
• XLogP3: 4.1
• XLogP3-AA: 4.1

Synthetic Use

Downstream Synthesis Route 1

• 132-64-9

• 10016-52-1

Reference: [1] Organic Letters, 2010, vol. 12, # 15, p. 3438 - 3441

Downstream Synthesis Route 2

• 132-64-9

• 10016-52-1
• 86-76-0

Reference: [1] Organic Letters, 2006, vol. 8, # 19, p. 4211 - 4214

Downstream Synthesis Route 3

• 132-64-9

• 10016-52-1
• 67733-57-7
• 84761-81-9
• 84761-80-8

Reference: [1] Heterocycles, 1982, vol. 19, # 12, p. 2349 - 2354
[2] Heterocycles, 1982, vol. 19, # 12, p. 2349 - 2354

Downstream Synthesis Route 4

• 67-62-9
• 132-64-9

• 50548-43-1

Reference: [1]Iowa State College Journal of Science,1943,vol. 18,p. 98,99

Downstream Synthesis Route 5

• 132-64-9

• 10016-52-1

Reference: [1]Tetrahedron,2019,vol. 75,p. 2400 - 2405

Downstream Synthesis Route 6

• 132-64-9

• 5408-56-0

Reference: [1]Patent: US2012/157694,2012,A1 .Location in patent: Page/Page column 25

* For details of the synthesis route, please refer to the original source to ensure accuracy.