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2-Bromocyclohexanone - ≥90% (GC), high purity , CAS No.822-85-5

COA

Grade & Purity:

≥90%(GC)

Cas Number: 822-85-5
Molecular Weight: 177.04
Beilstein Registry Number: 1071730
MDL number: MFCD09033417
PubChem CID: 11789758

In stock

Item Number

B463203

Grouped product items
SKU	Size	Availability	Price	Qty
B463203-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$235.90

Basic Description

Synonyms	KDXYEWRAWRZXFT-UHFFFAOYSA-N \| 2-bromo-cyclohexan-1-one \| 2-Bromocyclohexan-1-one \| SCHEMBL918055 \| AS-38659 \| cyclohexanone, 2-bromo- \| A840293 \| J-800370 \| FT-0649087 \| DTXSID30472791 \| 2-Bromocyclohexanone, tech grade \| AM10048 \| 2-bromocyclohexanone \|
Specifications & Purity	≥90%(GC)
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

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Alpha-haloketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones
Direct Parent	Alpha-haloketones
Alternative Parents	Cyclic ketones Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Alpha-haloketone - Cyclic ketone - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alpha-haloketones. These are organic compounds contaning a halogen 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-bromocyclohexan-1-one
INCHI	InChI=1S/C6H9BrO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2
InChIKey	KDXYEWRAWRZXFT-UHFFFAOYSA-N
Smiles	C1CCC(=O)C(C1)Br
Isomeric SMILES	C1CCC(=O)C(C1)Br
WGK Germany	3
Molecular Weight	177.04
Beilstein	1071730
Reaxy-Rn	1071730
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071730&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°C)	84 °C
Boil Point(°C)	72 °C/0.40 mmHg
Molecular Weight	177.040 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	175.984 Da
Monoisotopic Mass	175.984 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	101.000
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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