Dibenzofuran - ≥98% , CAS No.132-64-9

CAS: 132-64-9 Cat. No.: D100594 Formula: C₁₂H₈O Molecular Weight: 168.19 Beilstein Registry Number: 121100 EC Number: 205-071-3

GRADE & PURITY ≥98%

Synonyms

FT-0624634 | DTXCID801993 | NCGC00259665-01 | dibenzo[bd]furan | 8U54U639VI | Tox21_300052 | Q-101160 | SCHEMBL8207 | [1,2'-diyl oxide | InChI=1/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8 | NSC 1245 | DIBENZOFURAN [MI] | NCGC00164102-03 | Q419513

Storage

Room temperature

Shipped In

Normal

Overview

Applications for GC (Gas Chromatography) and LC (Liquid Chromatography) Analysis. Dibenzofuran as the model substrate in culture procedures.

Specifications

Synonyms

FT-0624634 | DTXCID801993 | NCGC00259665-01 | dibenzo[bd]furan | 8U54U639VI | Tox21_300052 | Q-101160 | SCHEMBL8207 | [1,2'-diyl oxide | InChI=1/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8 | NSC 1245 | DIBENZOFURAN [MI] | NCGC00164102-03 | Q419513

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488179531
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179531
• Canonical Smiles: C1=CC=C2C(=C1)C3=CC=CC=C3O2
• IUPAC Name: dibenzofuran
• InChIKey: TXCDCPKCNAJMEE-UHFFFAOYSA-N
• INCHI: 1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
• Isomeric SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3O2
• WGK Germany: 3
• RTECS: HP4430000
• UN Number: 3077
• Packing Group: III
• Molecular Weight: 168.19
• Beilstein: 121100
• Reaxy-Rn: 121100
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=121100&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzofurans
      • Subclass Dibenzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzofurans
• Subclass: Dibenzofurans
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzofurans
• Alternative Parents: Benzenoids Heteroaromatic compounds Furans Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzofuran - Benzenoid - Heteroaromatic compound - Furan - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dibenzofurans. These are compounds containing a dibenzofuran moiety, which consists of two benzene rings fused to a central furan ring.
• External Descriptors: a small molecule

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

Discover Target: AHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

HT-22 (3261 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Bovine viral diarrhea virus 1 (1277 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in water: Practically insoluble; Soluble in Alcohol,Ether,Acetone
• x_flash_point_drop_fahrenheit: 266 °F
• x_flash_point_drop_centigrade: 130℃
• x_boil_point_char: 154-155°C
• x_melt_point_char: 81-85°C
• Molecular Weight: 168.190 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 168.058 Da
• Monoisotopic Mass: 168.058 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 170.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 132-64-9, the molecular formula is C12H8O, and the molecular weight is 168.19 g/mol. InChIKey TXCDCPKCNAJMEE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.