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3-Methyladipoyl chloride - 97%, high purity , CAS No.44987-62-4

COA

Grade & Purity:

≥97%

Cas Number: 44987-62-4
Molecular Weight: 197.05
MDL number: MFCD00009675
PubChem CID: 543802

In stock

Item Number

M469230

Grouped product items
SKU	Size	Availability	Price	Qty
M469230-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$154.90

Basic Description

Synonyms	3-Methylhexanedioyl dichloride # \| 3-Methylhexanedioyl dichloride \| DTXSID00337646 \| MethyllycernuateA \| 3-Methyladipoyl chloride, 97% \| FT-0616024 \| AKOS015916671 \| 3-Methyladipoyl chloride \| SCHEMBL2229961 \| YDDUPABDRNKFDU-UHFFFAOYSA-N \| ss-Methyl-adipi
Specifications & Purity	≥97%
Product Description	Description 3-Methyladipoyl chloride has been used in the preparation of :polyester hydrochloridespolyamides, having potential non-linear optical characteristics

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 acyclic compounds
Substituents	Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - 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

IUPAC Name	3-methylhexanedioyl dichloride
INCHI	InChI=1S/C7H10Cl2O2/c1-5(4-7(9)11)2-3-6(8)10/h5H,2-4H2,1H3
InChIKey	YDDUPABDRNKFDU-UHFFFAOYSA-N
Smiles	CC(CCC(=O)Cl)CC(=O)Cl
Isomeric SMILES	CC(CCC(=O)Cl)CC(=O)Cl
Molecular Weight	197.05
Reaxy-Rn	1723873
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1723873&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	197.060 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	196.006 Da
Monoisotopic Mass	196.006 Da
Topological Polar Surface Area	34.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	157.000
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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