1,5-Hexadiene Diepoxide - ≥96% , CAS No.1888-89-7

CAS: 1888-89-7 Cat. No.: H157055 Molecular Weight: 114.14 EC Number: 217-564-0

GRADE & PURITY ≥96%

Synonyms

MFCD01723447 | NSC 47548 | CCRIS 3751 | H10610 | UNII-28Q8VMP7TE | InChI=1/C6H10O2/c1(5-3-7-5)2-6-4-8-6/h5-6H,1-4H2 | 1,2:5,6-Diepoxyhexane | 1,5,6-Diepoxyhexane | FT-0606260 | HTJFSXYVAKSPNF-UHFFFAOYSA- | SCHEMBL443873 | 1,6-Diepoxyhexane | 28Q8VMP7TE |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

MFCD01723447 | NSC 47548 | CCRIS 3751 | H10610 | UNII-28Q8VMP7TE | InChI=1/C6H10O2/c1(5-3-7-5)2-6-4-8-6/h5-6H, 1-4H2 | 1, 2:5, 6-Diepoxyhexane | 1, 5, 6-Diepoxyhexane | FT-0606260 | HTJFSXYVAKSPNF-UHFFFAOYSA- | SCHEMBL443873 | 1, 6-Diepoxyhexane | 28Q8VMP7TE |

Specifications & Purity

≥96%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504752720
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752720
• Canonical Smiles: C1C(O1)CCC2CO2
• IUPAC Name: 2-[2-(oxiran-2-yl)ethyl]oxirane
• InChIKey: HTJFSXYVAKSPNF-UHFFFAOYSA-N
• INCHI: 1S/C6H10O2/c1(5-3-7-5)2-6-4-8-6/h5-6H,1-4H2
• Isomeric SMILES: C1C(O1)CCC2CO2
• RTECS: MO1575000
• Molecular Weight: 114.14
• Reaxy-Rn: 79960
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=79960&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Epoxides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Epoxides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Epoxides
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxacycle - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as epoxides. These are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms).
• 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

Chemical and Physical Properties

• Refractive Index: 1.44
• Flash Point(°C): 63 °C
• Boil Point(°C): 188°C(lit.)
• Molecular Weight: 114.140 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 114.068 Da
• Monoisotopic Mass: 114.068 Da
• Topological Polar Surface Area: 25.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 80.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1