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2-Chlorocycloheptanone - 98.0%, high purity , CAS No.766-66-5
Basic Description
Synonyms
AS-59450 | AKOS009106825 | MFCD00041033 | alpha-Chlorocycloheptanone | BRN 1099282 | EN300-26518 | T71318 | CYCLOHEPTANONE, 2-CHLORO- | 2-Chlorocycloheptanone | DTXSID30883348 | Z223607164 | 2-Chlorocycloheptanone, AldrichCPR | 4-07-00-00040 (Beilstein Ha
Specifications & Purity
≥98%
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
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
Data sources
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.
Names and Identifiers
Pubchem Sid
504752415
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504752415
IUPAC Name
2-chlorocycloheptan-1-one
INCHI
InChI=1S/C7H11ClO/c8-6-4-2-1-3-5-7(6)9/h6H,1-5H2
InChIKey
SDSZGDVXUFWFAA-UHFFFAOYSA-N
Smiles
C1CCC(C(=O)CC1)Cl
Isomeric SMILES
C1CCC(C(=O)CC1)Cl
Molecular Weight
146.61
Reaxy-Rn
1099282
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099282&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air Sensitive,Heat Sensitive
Refractive Index
1.49
Flash Point(°C)
105 °C
Molecular Weight
146.610 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
146.05 Da
Monoisotopic Mass
146.05 Da
Topological Polar Surface Area
17.100 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
111.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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