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Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde - >95.0%(GC), high purity , CAS No.38259-00-6

COA

Grade & Purity:

≥95%(GC)

Cas Number: 38259-00-6
Molecular Weight: 136.19
PubChem CID: 12493694

In stock

Item Number

B152621

Grouped product items
SKU	Size	Availability	Price	Qty
B152621-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$121.90
B152621-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$362.90

View related series

aldehyde (388) Carbonyl compound (2335)

Basic Description

Synonyms	AKOS037645889 \| KCHFYKPIADOPBJ-UHFFFAOYSA-N \| AS-64554 \| DTXSID90500302 \| B5279 \| bicyclo[2,2,2]oct-5-ene-2-carboxaldehyde \| EN300-260407 \| MFCD24673746 \| Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde \| SCHEMBL718244 \| rac-(1R,2R,4R)-bicyclo[2.2.2]oct-5-ene-2-
Specifications & Purity	≥95%(GC)
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organic oxides

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organic oxides
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Organic oxides
Alternative Parents	Hydrocarbon derivatives Aldehydes
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as organic oxides. These are organic compounds containing an oxide group.
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

IUPAC Name	bicyclo[2.2.2]oct-5-ene-2-carbaldehyde
INCHI	InChI=1S/C9H12O/c10-6-9-5-7-1-3-8(9)4-2-7/h1,3,6-9H,2,4-5H2
InChIKey	KCHFYKPIADOPBJ-UHFFFAOYSA-N
Smiles	C1CC2C=CC1CC2C=O
Isomeric SMILES	C1CC2C=CC1CC2C=O
Molecular Weight	136.19
Reaxy-Rn	2243762
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2243762&ln=

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Air Sensitive,Heat Sensitive
Refractive Index	1.5
Flash Point(°C)	68 °C
Boil Point(°C)	73°C/6mmHg(lit.)
Melt Point(°C)	13°C(lit.)
Molecular Weight	136.190 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	136.089 Da
Monoisotopic Mass	136.089 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	172.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
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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