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2-Chloro-2,4,6-cycloheptatrien-1-one - ≥98% (GC), high purity , CAS No.3839-48-3

COA

Grade & Purity:

≥98%(GC)

Cas Number: 3839-48-3
Molecular Weight: 140.57
MDL number: MFCD00182497
PubChem CID: 19691
PubChem SID: 488182557

In stock

Item Number

C131496

Grouped product items
SKU	Size	Availability	Price
C131496-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$24.90
C131496-250mg	250mg	4	$47.90
C131496-1g	1g	4	$146.90
C131496-5g	5g	3	$658.90

View related series

Carbonyl compound (2335) ketone (798)

Basic Description

Synonyms	DTXSID90191734 \| NSC328816 \| NSC-328816 \| 4-07-00-00502 (Beilstein Handbook Reference) \| 7Y65UFZ23T \| 9-AMINO-1,2,3,4-TETRAHYDROACRIDINEHCLHYDRATE \| MFCD00182497 \| 2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-CHLORO- \| 2-Chlortropon \| MTHNMAUDCHXFMM-UHFFFAOYSA-N \| 2,6-
Specifications & Purity	≥98%(GC)
Storage Temp	Argon charged
Shipped In	Normal
Product Description	Building Block for Synthesis

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Hydrocarbon derivatives
  - Class Tropones

Kingdom	Organic compounds
Superclass	Hydrocarbon derivatives
Class	Tropones
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Tropones
Alternative Parents	Aryl chlorides Cyclic ketones Organochlorides Organic oxides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Tropone - Aryl halide - Aryl chloride - Cyclic ketone - Organic oxygen compound - Organic oxide - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as tropones. These are compounds containing a tropone ring, which is a cycloheptatrienone ring bearing a ketone 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

Pubchem Sid	488182557
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488182557
IUPAC Name	2-chlorocyclohepta-2,4,6-trien-1-one
INCHI	InChI=1S/C7H5ClO/c8-6-4-2-1-3-5-7(6)9/h1-5H
InChIKey	MTHNMAUDCHXFMM-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=O)C=C1)Cl
Isomeric SMILES	C1=CC=C(C(=O)C=C1)Cl
WGK Germany	3
RTECS	GU4025000
Molecular Weight	140.57
Reaxy-Rn	471390
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471390&ln=

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

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

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
E1722219	Certificate of Analysis	Jan 06, 2023	C131496
K2216615	Certificate of Analysis	Nov 19, 2022	C131496
K2216616	Certificate of Analysis	Nov 19, 2022	C131496
K2216619	Certificate of Analysis	Nov 19, 2022	C131496
K2216620	Certificate of Analysis	Nov 19, 2022	C131496
K2216617	Certificate of Analysis	Nov 19, 2022	C131496
K2216618	Certificate of Analysis	Nov 19, 2022	C131496

Chemical and Physical Properties

Solubility	Soluble in Methanol
Sensitivity	Moisture sensitive
Boil Point(°C)	97 °C/0.05 mmHg
Melt Point(°C)	64-70°C
Molecular Weight	140.560 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	140.003 Da
Monoisotopic Mass	140.003 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	211.000
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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