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3′-Chloro-4′-fluoroacetanilide - 97%, high purity , CAS No.877-90-7

COA

Grade & Purity:

≥97%

Cas Number: 877-90-7
Molecular Weight: 187.6
PubChem CID: 589188
PubChem SID: 488190500

In stock

Item Number

C353626

Grouped product items
SKU	Size	Availability	Price
C353626-5g	5g	2	$76.90
C353626-25g	25g	3	$342.90
C353626-100g	100g	2	$1,231.90

Basic Description

Synonyms	EN300-220600 \| A842370 \| N-(3-Chloro-4-fluorophenyl)acetamide \| SCHEMBL6474667 \| MFCD00018095 \| AKOS002973886 \| AMY28182 \| F21244 \| AS-19210 \| STL553877 \| FT-0633062 \| DTXSID00343343 \| 3'-CHLORO-4'-FLUOROACETANILIDE \| 3-CHLORO-4-FLUOROACETANILIDE
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides
      - Level5 Acetanilides
        Level6 Haloacetanilides
        Level7 M-haloacetanilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Acetanilides - Haloacetanilides
Direct Parent	M-haloacetanilides
Alternative Parents	P-haloacetanilides N-acetylarylamines Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	M-haloacetanilide - P-haloacetanilide - N-acetylarylamine - N-arylamide - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Organochloride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as m-haloacetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group, which is in turn meta-substituted with a halogen atom.
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	488190500
IUPAC Name	N-(3-chloro-4-fluorophenyl)acetamide
INCHI	InChI=1S/C8H7ClFNO/c1-5(12)11-6-2-3-8(10)7(9)4-6/h2-4H,1H3,(H,11,12)
InChIKey	ALPHMTFVUKDBGJ-UHFFFAOYSA-N
Smiles	CC(=O)NC1=CC(=C(C=C1)F)Cl
Isomeric SMILES	CC(=O)NC1=CC(=C(C=C1)F)Cl
Molecular Weight	187.6
Reaxy-Rn	2804874
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2804874&ln=

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

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Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
C2508128	Certificate of Analysis	Sep 21, 2022	C353626
A2331372	Certificate of Analysis	Sep 21, 2022	C353626
F2314250	Certificate of Analysis	Sep 21, 2022	C353626
A2331370	Certificate of Analysis	Sep 21, 2022	C353626
A2331374	Certificate of Analysis	Sep 21, 2022	C353626
A2331371	Certificate of Analysis	Sep 21, 2022	C353626
A2331369	Certificate of Analysis	Sep 21, 2022	C353626
A2331373	Certificate of Analysis	Sep 21, 2022	C353626

Chemical and Physical Properties

Melt Point(°C)	116-119℃
Molecular Weight	187.600 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	187.02 Da
Monoisotopic Mass	187.02 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	176.000
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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