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2,8-Dichlorocyclooctanone - >98.0%(GC), high purity , CAS No.108249-93-0

COA

Grade & Purity:

≥98%(GC)

Cas Number: 108249-93-0
Molecular Weight: 195.08
MDL number: MFCD06797089
PubChem CID: 44630271

In stock

Item Number

D154371

Grouped product items
SKU	Size	Availability	Price	Qty
D154371-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$43.90
D154371-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$166.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	DTXSID80659898 \| D2910 \| 2,8-dichlorocyclooctan-1-one \| 2,8-Dichlorocyclooctanone \| MFCD06797089 \| T70064 \| SCHEMBL21295306
Specifications & Purity	≥98%(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 Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Alpha-haloketones
        Level7 Alpha-chloroketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Alpha-haloketones
Direct Parent	Alpha-chloroketones
Alternative Parents	Cyclic ketones Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Alpha-chloroketone - Cyclic ketone - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alpha-chloroketones. These are organic compounds contaning a chlorine atom attached to the alpha carbon atom relative to C=O 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	2,8-dichlorocyclooctan-1-one
INCHI	InChI=1S/C8H12Cl2O/c9-6-4-2-1-3-5-7(10)8(6)11/h6-7H,1-5H2
InChIKey	COOPJLNDURVHCV-UHFFFAOYSA-N
Smiles	C1CCC(C(=O)C(CC1)Cl)Cl
Isomeric SMILES	C1CCC(C(=O)C(CC1)Cl)Cl
Molecular Weight	195.08
Reaxy-Rn	2436346
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2436346&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Soluble in Methanol
Sensitivity	Air Sensitive,Heat Sensitive
Boil Point(°C)	110°C/2mmHg(lit.)
Melt Point(°C)	43°C(lit.)
Molecular Weight	195.080 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	194.027 Da
Monoisotopic Mass	194.027 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	133.000
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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