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1-Methyl-1-cyclohexanecarbonyl chloride - 95%, high purity , CAS No.2890-61-1

COA

Grade & Purity:

≥95%

Cas Number: 2890-61-1
Molecular Weight: 160.645
PubChem CID: 4189245
PubChem SID: 504762897

In stock

Item Number

M169298

Grouped product items
SKU	Size	Availability	Price
M169298-250mg	250mg	1	$89.90
M169298-1g	1g	3	$222.90
M169298-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$666.90

Basic Description

Synonyms	1-METHYLCYCLOHEXANECARBONYL CHLORIDE \| 2890-61-1 \| 1-METHYL-1-CYCLOHEXANECARBOXYLIC ACID CHLORIDE \| 1-methylcyclohexane-1-carbonyl Chloride \| MFCD00019346 \| Cyclohexanecarbonyl chloride, 1-methyl- \| 1-Methylcyclohexanecarbonylchloride \| EC 608-291-1 \| SCHEMBL246831 \| STPXI
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
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 Organohalogen compounds
  - Class Acyl halides
    - Subclass Acyl chlorides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Acyl halides
Subclass	Acyl chlorides
Intermediate Tree Nodes	Not available
Direct Parent	Acyl chlorides
Alternative Parents	Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.
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	504762897
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504762897
IUPAC Name	1-methylcyclohexane-1-carbonyl chloride
INCHI	InChI=1S/C8H13ClO/c1-8(7(9)10)5-3-2-4-6-8/h2-6H2,1H3
InChIKey	STPXIOFWKOIYHX-UHFFFAOYSA-N
Smiles	CC1(CCCCC1)C(=O)Cl
Isomeric SMILES	CC1(CCCCC1)C(=O)Cl
Molecular Weight	160.645
Reaxy-Rn	742252
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742252&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
A2208078	Certificate of Analysis	Oct 09, 2024	M169298
A2208113	Certificate of Analysis	Oct 09, 2024	M169298
A2208082	Certificate of Analysis	Oct 09, 2024	M169298

Chemical and Physical Properties

Molecular Weight	160.640 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	160.065 Da
Monoisotopic Mass	160.065 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	136.000
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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