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2-chloro-4,4-dimethyl-cyclohexene-1-carbaldehyde - 97%, high purity , CAS No.1228943-80-3

COA

Grade & Purity:

≥97%

Cas Number: 1228943-80-3
Molecular Weight: 172.65
PubChem CID: 86642872

In stock

Item Number

C678593

Grouped product items
SKU	Size	Availability	Price
C678593-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$78.90
C678593-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$132.90
C678593-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$344.90
C678593-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,426.90
C678593-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,562.90

Basic Description

Specifications & Purity	≥97%
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 Organohalogen compounds
  - Class Vinyl halides
    - Subclass Vinylogous halides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Vinyl halides
Subclass	Vinylogous halides
Intermediate Tree Nodes	Not available
Direct Parent	Vinylogous halides
Alternative Parents	Vinyl chlorides Chloroalkenes Organochlorides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Vinylogous halide - Chloroalkene - Haloalkene - Vinyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Aldehyde - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as vinylogous halides. These are organic compounds containing a halogen atom, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety.
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	2-chloro-4,4-dimethylcyclohexene-1-carbaldehyde
INCHI	InChI=1S/C9H13ClO/c1-9(2)4-3-7(6-11)8(10)5-9/h6H,3-5H2,1-2H3
InChIKey	BSXRPCFOXBDGBC-UHFFFAOYSA-N
Smiles	CC1(CCC(=C(C1)Cl)C=O)C
Isomeric SMILES	CC1(CCC(=C(C1)Cl)C=O)C
PubChem CID	86642872
Molecular Weight	172.65

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	172.650 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	172.065 Da
Monoisotopic Mass	172.065 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	204.000
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

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