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2-Cyclohepten-1-one - 85%, high purity , CAS No.1121-66-0

COA

Grade & Purity:

≥85%

Cas Number: 1121-66-0
Molecular Weight: 110.15
EC Number: 214-334-1
MDL number: MFCD00004157
PubChem CID: 70723
PubChem SID: 504754561

In stock

Item Number

C138031

Grouped product items
SKU	Size	Availability	Price
C138031-1g	1g	3	$76.90
C138031-5g	5g	3	$302.90
C138031-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$543.90
C138031-25g	25g	3	$1,223.90
C138031-100g	100g	2	$4,404.90

View related series

Carbonyl compound (2335) ketone (798)

Basic Description

Synonyms	NSC 155333 \| SY041083 \| FT-0633357 \| 2-Cyclohepten-1-one, 80%, technical grade \| s10329 \| SCHEMBL446593 \| cyclohept-2-eneone \| (Z)-cyclohept-2-enone \| Cyclohept-2-en-1-one \| 2-Cycloheptenone \| EINECS 214-334-1 \| NSC155333 \| NSC-155333 \| DTXSID30149916 \| J
Specifications & Purity	≥85%
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.
Product Description	2-Cyclohepten-1-one is an α,β-enone and its regioselective reaction with allyl indium reagent in the presence of TMSCl has been reported. It reacts with Bu2Zn in the presence of catalytic amounts of Cu(OTf)2 and CH2-bridged azolium salts to give (S)-3-butylcycloheptanone.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Cyclic ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones
Direct Parent	Cyclic ketones
Alternative Parents	Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic 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	504754561
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754561
IUPAC Name	cyclohept-2-en-1-one
INCHI	InChI=1S/C7H10O/c8-7-5-3-1-2-4-6-7/h3,5H,1-2,4,6H2
InChIKey	WZCRDVTWUYLPTR-UHFFFAOYSA-N
Smiles	C1CCC(=O)C=CC1
Isomeric SMILES	C1CCC(=O)C=CC1
WGK Germany	1
Molecular Weight	110.15
Reaxy-Rn	1903624
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1903624&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.

7 results found

Lot Number	Certificate Type	Date	Item
F2427011	Certificate of Analysis	Jun 29, 2024	C138031
C2209177	Certificate of Analysis	Dec 25, 2023	C138031
C2209336	Certificate of Analysis	Dec 25, 2023	C138031
C2209601	Certificate of Analysis	Dec 25, 2023	C138031
C2209605	Certificate of Analysis	Dec 25, 2023	C138031
F2405137	Certificate of Analysis	Dec 25, 2023	C138031
D1712067	Certificate of Analysis	Nov 17, 2022	C138031

Chemical and Physical Properties

Sensitivity	Heat Sensitive
Refractive Index	1.5
Flash Point(°F)	154.4 °F
Flash Point(°C)	68 °C
Boil Point(°C)	183 °C
Molecular Weight	110.150 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	110.073 Da
Monoisotopic Mass	110.073 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	114.000
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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