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4'-Chlorobutyrophenone - 97%, high purity , CAS No.4981-63-9

COA

Grade & Purity:

≥97%

Cas Number: 4981-63-9
Molecular Weight: 182.65
Beilstein Registry Number: 7(4)711
MDL number: MFCD00013647
PubChem CID: 70321
PubChem SID: 504754518

In stock

Item Number

C154065

Grouped product items
SKU	Size	Availability	Price
C154065-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
C154065-5g	5g	3	$14.90
C154065-25g	25g	2	$57.90
C154065-100g	100g	2	$205.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	DTXSID50870811 \| 1-(4-Chlorophenyl)-1-butanone \| Q8PTC88P96 \| XLCJPQYALLFIPW-UHFFFAOYSA- \| MFCD00013647 \| EINECS 213-362-1 \| EN300-20849 \| InChI=1/C10H11ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3 \| AI3-04096 \| Z104483624 \| 4'-Chlorobutyrophenone \|
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	504754518
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754518
IUPAC Name	1-(4-chlorophenyl)butan-1-one
INCHI	InChI=1S/C10H11ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3
InChIKey	XLCJPQYALLFIPW-UHFFFAOYSA-N
Smiles	CCCC(=O)C1=CC=C(C=C1)Cl
Isomeric SMILES	CCCC(=O)C1=CC=C(C=C1)Cl
Molecular Weight	182.65
Beilstein	7(4)711
Reaxy-Rn	1864288
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1864288&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.

3 results found

Lot Number	Certificate Type	Date	Item
H2130102	Certificate of Analysis	Jun 09, 2025	C154065
H2130105	Certificate of Analysis	Jun 09, 2025	C154065
H2130106	Certificate of Analysis	Jun 09, 2025	C154065

Chemical and Physical Properties

Boil Point(°C)	254°C(lit.)
Melt Point(°C)	38 °C
Molecular Weight	182.640 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	182.05 Da
Monoisotopic Mass	182.05 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	148.000
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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