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7-Oxabicyclo[4.1.0]heptan-2-one - ≥97%, high purity , CAS No.6705-49-3

COA

Grade & Purity:

≥97%

Cas Number: 6705-49-3
Molecular Weight: 112.13
PubChem CID: 100030
PubChem SID: 504756457

In stock

Item Number

O342678

Grouped product items
SKU	Size	Availability	Price
O342678-250mg	250mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$9.90
O342678-1g	1g	2	$27.90
O342678-5g	5g	2	$107.90

a ketone building block for chemical synthesis

Basic Description

Synonyms	STL556947 \| AB92819 \| Cyclohexanone,3-epoxy- \| CS-0155446 \| DTXSID50986027 \| 7-oxabicyclo[4.1.0]heptan-2-on \| NSC 316062 \| SY112669 \| 7-Oxabicyclo(4.1.0)heptan-2-one \| EINECS 229-751-4 \| AB10163 \| 7-Oxabicyclo[4.1.0]heptan-2-one, 98% \| MFCD00192371 \| FT-0
Specifications & Purity	≥97%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Product Describtion: 7-Oxabicyclo[4.1.0]heptan-2-one is one of the products formed during oxidation of cyclohexene by dendritic complexes. It has been reported as anticapsin analog. Product Application: 7-Oxabicyclo[4.1.0]heptan-2-one was employed as substrate to investigate the substrate specificity of purified recombinant NADPH-dependent 3-quinuclidinone reductases from Microbacterium luteolum JCM 9174 for the reductive reaction of ketones.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Oxepanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxepanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Oxepanes
Alternative Parents	Ketones Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Oxepane - Ketone - Oxacycle - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
External Descriptors	Not available
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

Names and Identifiers

Pubchem Sid	504756457
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756457
IUPAC Name	7-oxabicyclo[4.1.0]heptan-2-one
INCHI	InChI=1S/C6H8O2/c7-4-2-1-3-5-6(4)8-5/h5-6H,1-3H2
InChIKey	QKOHEJBTNOEACF-UHFFFAOYSA-N
Smiles	C1CC2C(O2)C(=O)C1
Isomeric SMILES	C1CC2C(O2)C(=O)C1
WGK Germany	3
Molecular Weight	112.13
Reaxy-Rn	109456
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109456&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
J2314083	Certificate of Analysis	Sep 15, 2023	O342678
J2314082	Certificate of Analysis	Sep 15, 2023	O342678
J2314084	Certificate of Analysis	Sep 15, 2023	O342678
J2314087	Certificate of Analysis	Sep 15, 2023	O342678
J2314086	Certificate of Analysis	Sep 15, 2023	O342678
J2314085	Certificate of Analysis	Sep 15, 2023	O342678

Chemical and Physical Properties

Refractive Index	n20D1.474 (lit.)
Flash Point(°F)	204.8 °F
Flash Point(°C)	96 °C
Boil Point(°C)	76-78° C (lit.) at 15 mmHg
Molecular Weight	112.130 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	112.052 Da
Monoisotopic Mass	112.052 Da
Topological Polar Surface Area	29.600 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	130.000
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

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