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6-Chlorohexanoyl chloride - 96%, high purity , CAS No.19347-73-0

COA

Grade & Purity:

≥96%

Cas Number: 19347-73-0
Molecular Weight: 169.05
MDL number: MFCD00041436
PubChem CID: 88014
PubChem SID: 504755916

In stock

Item Number

C468097

Grouped product items
SKU	Size	Availability	Price
C468097-250mg	250mg	3	$100.90
C468097-1g	1g	3	$310.90
C468097-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$825.90

Basic Description

Synonyms	6-Chlorohexanoyl chloride, 96% \| EINECS 242-979-9 \| SCHEMBL203285 \| MFCD00041436 \| AKOS006221914 \| Hexanoyl chloride, 6-chloro- \| J-012527 \| 6-CHLOROHEXANOYLCHLORIDE \| FT-0621069 \| 6-chlorocaproyl chloride \| 6-chloro-caproyl chloride \| 6-Chlorohexanoyl ch
Specifications & Purity	≥96%
Product Description	Description 6-Chlorohexanoyl chloride may be used in the following processes:Preparation oftert-butyl-N-(2-(6-chlorovaleryl)phenyl)carbamate, an intermediate for synthesizing the ketone analog of 2-amino-N-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)-butyl)benzamide hydrochloride.Preparation of (S)-(-)6-chlorohexanoic acid (2-methoxymethylpyrrolidin-1-yl)amide, a precursor for synthesizing 2-alkyl-substituted lactones.Deprotection and acylation of the pendant nitrogen during the preparation of a new cryptand with hydroxamate moiety that can bind with tribasic cations.

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 Alkyl chlorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic 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	504755916
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755916
IUPAC Name	6-chlorohexanoyl chloride
INCHI	InChI=1S/C6H10Cl2O/c7-5-3-1-2-4-6(8)9/h1-5H2
InChIKey	WZILXAPNPKMOSA-UHFFFAOYSA-N
Smiles	C(CCC(=O)Cl)CCCl
Isomeric SMILES	C(CCC(=O)Cl)CCCl
WGK Germany	3
Molecular Weight	169.05
Reaxy-Rn	1852393
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1852393&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
F2308296	Certificate of Analysis	May 05, 2023	C468097
F2308300	Certificate of Analysis	May 05, 2023	C468097
F2308297	Certificate of Analysis	May 05, 2023	C468097

Chemical and Physical Properties

Sensitivity	moisture sensitive
Refractive Index	1.464
Flash Point(°F)	230 °F
Flash Point(°C)	110 °C
Boil Point(°C)	90℃/7mm
Molecular Weight	169.050 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	168.011 Da
Monoisotopic Mass	168.011 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	83.100
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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