2,5-Dimethylfuran - ≥99% , CAS No.625-86-5

CAS: 625-86-5 Cat. No.: D113405 Formula: C₆H₈O Molecular Weight: 96.13 Beilstein Registry Number: 106449 EC Number: 210-914-3

GRADE & PURITY ≥99%

Synonyms

EINECS 210-914-3 | 2,5-DIMETYLFURAN | DR5HL9OJ7Y | 2,5-DIMETHYLFURAN [FHFI] | 2,5-Dimethylfuran, 99% | DTXSID7022093 | DTXCID102093 | Furan, 2,5-dimethyl- | 2,5-Dimethylfuran 1000 microg/mL in Acetonitrile | 2,5-Dimethylfuran, >=99% | FT-0655041 | 2,5-DIM

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

2,5-Dimethylfuran is a heterocyclic furan used as a building block in organic synthesis.

Product Application:

2,5-Dimethylfuran (DMF) can be used for:
1、Preparation of external maleimide dimethylfuran ring adducts as reactants for the synthesis of oligonucleotide conjugates.
2、As an arynophile, 1,4-dimethyl-1,4-dihydro-1,4-epoxynaphthalene (heavy benzene) was synthesized by reacting with a mixture of neopentyl glycol and 2-hydroxyphenylboronic acid under strong alkaline conditions.
3、As a precursor, p-xylene was prepared through Diels Alder cycloaddition and subsequent dehydration reactions.

Specifications

Synonyms

EINECS 210-914-3 | 2,5-DIMETYLFURAN | DR5HL9OJ7Y | 2,5-DIMETHYLFURAN [FHFI] | 2,5-Dimethylfuran, 99% | DTXSID7022093 | DTXCID102093 | Furan, 2,5-dimethyl- | 2,5-Dimethylfuran 1000 microg/mL in Acetonitrile | 2,5-Dimethylfuran, >=99% | FT-0655041 | 2,5-DIM

Specifications & Purity

≥99%

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Purity

≥99%

Names and Identifiers

Pubchem Sid

488181597

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181597

Canonical Smiles

CC1=CC=C(O1)C

IUPAC Name

2,5-dimethylfuran

InChIKey

GSNUFIFRDBKVIE-UHFFFAOYSA-N

INCHI

1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3

Isomeric SMILES

CC1=CC=C(O1)C

WGK Germany

3

RTECS

LU0875000

UN Number

1993

Packing Group

I

Molecular Weight

96.13

Beilstein

106449

Reaxy-Rn

106449

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106449&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Furans Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Furan - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• External Descriptors: Not available

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)

CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

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

Associated Targets(non-human)

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Slightly miscible with water. Miscible with ethanol and fats.
• Sensitivity: Heat sensitive
• Refractive Index: 1.44-1.442
• Flash Point(°F): 33.8°F
• Flash Point(°C): 1°C
• Boil Point(°C): 92-94°C
• Melt Point(°C): -62°C
• Molecular Weight: 96.130 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 96.0575 Da
• Monoisotopic Mass: 96.0575 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 53.200
• 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