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4'-Chlorovalerophenone - ≥96.0%(GC), high purity , CAS No.25017-08-7

COA

Grade & Purity:

≥96%(GC)

Cas Number: 25017-08-7
Molecular Weight: 196.67
MDL number: MFCD00018716
PubChem CID: 90686
PubChem SID: 488186639

In stock

Item Number

C133286

Grouped product items
SKU	Size	Availability	Price
C133286-1g	1g	3	$9.90
C133286-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$12.90
C133286-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$19.90
C133286-50g	50g	5	$87.90
C133286-250g	250g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$394.90

Basic Description

Synonyms	FT-0618273 \| EINECS 246-566-4 \| C2041 \| DTXSID70179717 \| 2,4-Di(tert-Amyl)phenoxyaceticacid \| NSC76591 \| NSC-76591 \| 1-(4-Chlorophenyl)-1-pentanone \| NSC 76591 \| S62TTW9MS5 \| 1-Pentanone, 1-(4-chlorophenyl)- \| AKOS009157308 \| 4'-Chloropentanophenone \| PS-
Specifications & Purity	≥96%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Butyrophenones Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Butyrophenone - Aryl alkyl ketone - Benzoyl - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
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	488186639
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186639
IUPAC Name	1-(4-chlorophenyl)pentan-1-one
INCHI	InChI=1S/C11H13ClO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3
InChIKey	XMUGWCSIQUJOFA-UHFFFAOYSA-N
Smiles	CCCCC(=O)C1=CC=C(C=C1)Cl
Isomeric SMILES	CCCCC(=O)C1=CC=C(C=C1)Cl
Molecular Weight	196.67
Reaxy-Rn	2208626
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208626&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
B2421038	Certificate of Analysis	Feb 29, 2024	C133286
H1624077	Certificate of Analysis	Feb 18, 2024	C133286
H2204225	Certificate of Analysis	Aug 10, 2022	C133286
C2329251	Certificate of Analysis	May 10, 2022	C133286

Chemical and Physical Properties

Boil Point(°C)	156 °C/14 mmHg
Melt Point(°C)	30 °C
Molecular Weight	196.670 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	196.065 Da
Monoisotopic Mass	196.065 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	159.000
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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