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4'-Chloro-3'-nitroacetophenone - 98%, high purity , CAS No.5465-65-6

COA

Grade & Purity:

≥98%

Cas Number: 5465-65-6
Molecular Weight: 199.59
Beilstein Registry Number: 1640627
EC Number: 226-769-4
MDL number: MFCD00007083
PubChem CID: 79596
PubChem SID: 504755387

In stock

Item Number

C122008

Grouped product items
SKU	Size	Availability	Price
C122008-5g	5g	3	$40.90
C122008-25g	25g	3	$143.90
C122008-100g	100g	3	$516.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	1-(4-Chloro-3-nitrophenyl)ethanone \| 3'-NITRO-4'-CHLOROACETOPHENONE \| 3-nitro-4-chloroacetophenone \| I12068 \| Q27279151 \| DTXSID1032488 \| N'-(t-Butyl)-N'-(3,5-dimethylbenzoyl)-N-(4-ethylbenzoyl)hydrazine \| SY018284 \| 4//'-Chloro-3//'-nitroacetophenone \| Y
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	General description： 4′-Chloro-3′-nitroacetophenone is the intermediate formed during the synthesis of 4-chloro-3-nitrostyrene. It participates in deamination reaction of 4-chloro-5- and -3-nitro-2-aminoacetophanones. application： 4′-Chloro-3′-nitroacetophenone was used to prepare starting reagent for the synthesis of 6- and 7-acetyl-3-methyl-2-quinoxalinecarboxamide1,4-dioxides.

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	Nitrobenzenes Acetophenones Nitroaromatic compounds Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Acetophenone - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - C-nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organochloride - Organonitrogen 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	504755387
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755387
IUPAC Name	1-(4-chloro-3-nitrophenyl)ethanone
INCHI	InChI=1S/C8H6ClNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3
InChIKey	YEVPHFIFGUWSMG-UHFFFAOYSA-N
Smiles	CC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]
Isomeric SMILES	CC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]
WGK Germany	3
Molecular Weight	199.59
Beilstein	1640627
Reaxy-Rn	1640627
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1640627&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.

5 results found

Lot Number	Certificate Type	Date	Item
I1419124	Certificate of Analysis	Jul 14, 2022	C122008
D1401063	Certificate of Analysis	Feb 16, 2022	C122008
C2222098	Certificate of Analysis	Feb 14, 2022	C122008
C2222104	Certificate of Analysis	Feb 14, 2022	C122008
L2416256	Certificate of Analysis	Feb 14, 2022	C122008

Chemical and Physical Properties

Melt Point(°C)	99°C
Molecular Weight	199.590 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	199.004 Da
Monoisotopic Mass	199.004 Da
Topological Polar Surface Area	62.900 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	226.000
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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