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3'-Chloroacetanilide - >98.0%(GC), high purity , CAS No.588-07-8

COA

Grade & Purity:

≥98%(GC)

Cas Number: 588-07-8
Molecular Weight: 169.61
Beilstein Registry Number: 12(2)321
MDL number: MFCD00016341
PubChem CID: 11493
PubChem SID: 488181360

In stock

Item Number

C153718

Grouped product items
SKU	Size	Availability	Price
C153718-5g	5g	6	$15.90
C153718-25g	25g	4	$59.90
C153718-100g	100g	2	$215.90

View related series

amide (313) Non heterocyclic block (8163)

Basic Description

Synonyms	3'-Chloroacetanilide \| 3-Chloroacetanilide \| EF-0227 \| NSC6116 \| NSC-6116 \| NSC 39967 \| Acetanilide, 3'-chloro- \| AQ-012/40326599 \| HSDB 1409 \| NSC39967 \| NSC-39967 \| BRN 2208105 \| SCHEMBL357999 \| EINECS 209-610-3 \| FT-0615446 \| MFCD00016341 \| N-(3-Chloro
Specifications & Purity	≥98%(GC)
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	N-acetylarylamines Chlorobenzenes Aryl chlorides Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	M-haloacetanilide - N-acetylarylamine - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - 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	488181360
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181360
IUPAC Name	N-(3-chlorophenyl)acetamide
INCHI	InChI=1S/C8H8ClNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)
InChIKey	MUUQHCOAOLLHIL-UHFFFAOYSA-N
Smiles	CC(=O)NC1=CC(=CC=C1)Cl
Isomeric SMILES	CC(=O)NC1=CC(=CC=C1)Cl
RTECS	AE1000100
Molecular Weight	169.61
Beilstein	12(2)321
Reaxy-Rn	2208105
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208105&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
D2326499	Certificate of Analysis	Apr 01, 2023	C153718
D2326500	Certificate of Analysis	Apr 01, 2023	C153718
D2326506	Certificate of Analysis	Apr 01, 2023	C153718
D2326501	Certificate of Analysis	Apr 01, 2023	C153718
D2326502	Certificate of Analysis	Apr 01, 2023	C153718
D2326509	Certificate of Analysis	Apr 01, 2023	C153718

Chemical and Physical Properties

Boil Point(°C)	172°C/0.8mmHg(lit.)
Melt Point(°C)	76 °C
Molecular Weight	169.610 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	169.029 Da
Monoisotopic Mass	169.029 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	149.000
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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