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Sorbic chloride , CAS No.2614-88-2

COA

Cas Number: 2614-88-2
Molecular Weight: 130.57
PubChem CID: 5368941

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Item Number

S342561

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SKU	Size	Availability	Price	Qty
S342561-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$26.90

Basic Description

Synonyms	Sorbicchloride \| 2,4-Hexadienoyl chloride, (2E,4E)- \| EN300-624317 \| J-016281 \| (2E,4E)-hexa-2,4-dienoyl chloride \| Sorbic chloride \| Sorboyl chloride \| (2E,4E)-2,4-Hexadienoyl chloride # \| (E,E)-2,4-Hexadienoyl chloride \| SCHEMBL2297852 \| rans,trans-2,4-
Shipped In	Normal

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	(2E,4E)-hexa-2,4-dienoyl chloride
INCHI	InChI=1S/C6H7ClO/c1-2-3-4-5-6(7)8/h2-5H,1H3/b3-2+,5-4+
InChIKey	GRTWTVFDPBKQNU-MQQKCMAXSA-N
Smiles	CC=CC=CC(=O)Cl
Isomeric SMILES	C/C=C/C=C/C(=O)Cl
WGK Germany	3
PubChem CID	5368941
Molecular Weight	130.57

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	130.570 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	130.019 Da
Monoisotopic Mass	130.019 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	124.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	2
Covalently-Bonded Unit Count	1

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