1,4-Epoxycyclohexane - ≥98% , CAS No.279-49-2

CAS: 279-49-2 Cat. No.: E156396 Formule: C₆H₁₀O Poids moléculaire: 98.15 Numéro CE: 205-998-3

GRADE & PURITY ≥98%

Synonyms

7-Oxanorbornane | 1,4-Oxycyclohexane | 7-Oxabicyclo[2.2.1]heptane

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

7-Oxanorbornane | 1,4-Oxycyclohexane | 7-Oxabicyclo[2.2.1]heptane

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504751805

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751805

Sourires canoniques

C1CC2CCC1O2

IUPAC Name

7-oxabicyclo[2.2.1]heptane

InChIKey

YPWFNLSXQIGJCK-UHFFFAOYSA-N

INCHI

1S/C6H10O/c1-2-6-4-3-5(1)7-6/h5-6H,1-4H2

Isomères SMILES

C1CC2CCC1O2

WGK Allemagne

3

Poids moléculaire

98.15

Reaxy-Rn

102694

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102694&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Tetrahydrofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Tetrahydrofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydrofurans
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Tetrahydrofuran - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen.
• 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.45
• Point d'éclair (°F): 55.4 °F
• Point d'éclair (°C): 13°C(lit.)
• Point d'ébullition (°C): 120°C(lit.)
• Poids moléculaire: 98.140 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 98.0732 Da
• Monoisotopic Mass: 98.0732 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 62.200
• 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

Foire aux 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 279-49-2, the molecular formula is C6H10O, and the molecular weight is 98.15 g/mol. InChIKey YPWFNLSXQIGJCK-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.