Basic Description

Synonyms	4-Pentenoyl chloride \| 39716-58-0 \| Pent-4-enoyl Chloride \| MFCD00799572 \| pent-4-enoylchloride \| 4-PENTENOYLCHLORIDE \| Allylacetylchlorid \| Pent-4-enoylchlorde \| allyl acetyl chloride \| EC 700-100-0 \| SCHEMBL38207 \| 4-Pentenoyl chloride, 98% \| AMY808 \| DTXSID50401043 \| JDKQTIKEGOOX
Specifications & Purity	≥97%
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.
Product Description	4-Pentenoyl chloride has been identified as a key impurity in 5-chlorovaleroyl chloride (5-CVC).4-Pentenoyl chloride can be synthesized by reacting thionyl chloride and 4-pentenoic acid. Used in the preparation of an acyclic tripeptide containing a heterochiral D-pro-L-pro template with a propensity to exist as a 310 helical conformation. Cyclization via olefin metathesis (Grubbs Catalyst) provides the coresponding tetrapeptide without disruption of the helical conformation.

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	pent-4-enoyl chloride
INCHI	InChI=1S/C5H7ClO/c1-2-3-4-5(6)7/h2H,1,3-4H2
InChIKey	JDKQTIKEGOOXTJ-UHFFFAOYSA-N
Smiles	C=CCCC(=O)Cl
Isomeric SMILES	C=CCCC(=O)Cl
WGK Germany	1
PubChem CID	4228493
Molecular Weight	118.56

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

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

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
C2310333	Certificate of Analysis	Dec 10, 2024	P278805
C2310419	Certificate of Analysis	Dec 10, 2024	P278805

Chemical and Physical Properties

Sensitivity	Air and moisture sensitive
Flash Point(°F)	80.6 °F
Flash Point(°C)	27 °C
Boil Point(°C)	125 °C
Molecular Weight	118.560 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	118.019 Da
Monoisotopic Mass	118.019 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	78.100
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Qing Gao, Yang Zang, Ju Xie, Yongchuan Wu, Huaiguo Xue. (2021) 4-Pentenoyl-isoleucyl-chitosan oligosaccharide and acrylamide functional monomer-dependent hybrid bilayer molecularly imprinted membrane for sensitive electrochemical sensing of bisphenol A. RSC Advances, 11 (58): (36769-36776).

Solution Calculators

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SKU	Size	Availability	Price	Qty
P278805-5ml	5ml	1	$295.90
P278805-25ml	25ml	1	$1,029.90

4-Pentenoyl chloride - 97%, high purity , CAS No.39716-58-0