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2-Chloro-3-(hydroxymethylene)cyclohex-1-enecarbaldehyde - 95%, high purity , CAS No.61010-04-6

1 Citations

COA

Grade & Purity:

≥95%

Cas Number: 61010-04-6
Molecular Weight: 172.61
EC Number: ‘700-766-2
PubChem CID: 71399995
PubChem SID: 504772107

In stock

Item Number

C589643

Grouped product items
SKU	Size	Availability	Price
C589643-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90
C589643-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$42.90
C589643-250mg	250mg	3	$47.90
C589643-1g	1g	2	$148.90
C589643-5g	5g	1	$674.90

Basic Description

Synonyms	2-chloro-3-hydroxymethylene-cyclohex-1-enecarbaldehyde \| 1-Cyclohexene-1-carboxaldehyde, 2-chloro-3-(hydroxymethylene)- \| EC 700-766-2 \| SCHEMBL304654 \| 2-Chloro-3-(hydroxymethylene)-1-formyl-cyclohex-1-ene \| 2-Chloro-3-(hydroxymethylene)-1-formylcyclohex
Specifications & Purity	≥95%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads 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 Enols Chloroalkenes Organochlorides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Vinylogous halide - Chloroalkene - Haloalkene - Vinyl chloride - Enol - 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

Pubchem Sid	504772107
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504772107
IUPAC Name	2-chloro-3-(hydroxymethylidene)cyclohexene-1-carbaldehyde
INCHI	InChI=1S/C8H9ClO2/c9-8-6(4-10)2-1-3-7(8)5-11/h4-5,10H,1-3H2
InChIKey	JWUQFQYYMGMPKE-UHFFFAOYSA-N
Smiles	C1CC(=CO)C(=C(C1)C=O)Cl
Isomeric SMILES	C1CC(=CO)C(=C(C1)C=O)Cl
Molecular Weight	172.61
Reaxy-Rn	2253804
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2253804&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
K2324377	Certificate of Analysis	Oct 30, 2023	C589643
K2324378	Certificate of Analysis	Oct 30, 2023	C589643
K2302488	Certificate of Analysis	Oct 18, 2023	C589643
K2302490	Certificate of Analysis	Oct 18, 2023	C589643
K2302485	Certificate of Analysis	Oct 18, 2023	C589643
K2302486	Certificate of Analysis	Oct 18, 2023	C589643
K2302487	Certificate of Analysis	Oct 18, 2023	C589643
K2302489	Certificate of Analysis	Oct 18, 2023	C589643

Chemical and Physical Properties

Molecular Weight	172.610 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	172.029 Da
Monoisotopic Mass	172.029 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	228.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

Citations of This Product

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