p-Chloroacetanilide - ≥98% , CAS No.539-03-7

CAS: 539-03-7 Cat. No.: C105638 Molecular Weight: 169.61 Beilstein Registry Number: 509638 EC Number: 208-707-8
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
FT-0618154 | N-(4-CHLOROPHENYL)ETHANEAMIDE | NSC444 | NSC-444 | Acet-p-chloroanilide | AC-28508 | NSC 40563 | 10.14272/GGUOCFNAWIODMF-UHFFFAOYSA-N | AE-562/40197438 | W-105698 | AI3-00509 | InChI=1/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11 |
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
C105638-5g
9

$9.90

$14.90
Save $5.00 (33.56%)
25g
C105638-25g
7

$21.90

$32.90
Save $11.00 (33.43%)
100g
C105638-100g
9

$56.90

$85.90
Save $29.00 (33.76%)
500g
C105638-500g
1

$248.90

$373.90
Save $125.00 (33.43%)
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
FT-0618154 | N-(4-CHLOROPHENYL)ETHANEAMIDE | NSC444 | NSC-444 | Acet-p-chloroanilide | AC-28508 | NSC 40563 | 10.14272/GGUOCFNAWIODMF-UHFFFAOYSA-N | AE-562/40197438 | W-105698 | AI3-00509 | InChI=1/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H, 1H3, (H, 10, 11 |
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488181205
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488181205
Canonical SmilesCC(=O)NC1=CC=C(C=C1)Cl
IUPAC NameN-(4-chlorophenyl)acetamide
InChIKeyGGUOCFNAWIODMF-UHFFFAOYSA-N
INCHI1S/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
Isomeric SMILES CC(=O)NC1=CC=C(C=C1)Cl
WGK Germany 3
RTECS AE1001000
Molecular Weight 169.61
Beilstein 509638
Reaxy-Rn 509638
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=509638&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassAnilides
Intermediate Tree Nodes Acetanilides - Haloacetanilides
Direct ParentP-haloacetanilides
Alternative Parents N-acetylarylamines  Chlorobenzenes  Aryl chlorides  Acetamides  Secondary carboxylic acid amides  Organopnictogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents P-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
DescriptionThis compound belongs to the class of organic compounds known as p-haloacetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group, which is in turn para-substituted with a halogen atom.
External Descriptors acetamides - monochlorobenzenes
3D Structure
Interactive Chemical Structure Model





Mechanisms of Action
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.

13 results found

Lot NumberCertificate TypeDateItem
K2130768Certificate of AnalysisSep 09, 2025 C105638
K2130769Certificate of AnalysisSep 09, 2025 C105638
I2117086Certificate of AnalysisJul 14, 2025 C105638
E2113046Certificate of AnalysisFeb 07, 2025 C105638
G1508023Certificate of AnalysisApr 11, 2023 C105638
A2330501Certificate of AnalysisFeb 06, 2023 C105638
C23201128Certificate of AnalysisSep 27, 2022 C105638
C23201136Certificate of AnalysisSep 27, 2022 C105638
L2201639Certificate of AnalysisSep 27, 2022 C105638
L2201648Certificate of AnalysisSep 27, 2022 C105638
L2201649Certificate of AnalysisSep 27, 2022 C105638
L2201650Certificate of AnalysisSep 27, 2022 C105638
L2201651Certificate of AnalysisSep 27, 2022 C105638

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Chemical and Physical Properties
SolubilityInsoluble in water; Very soluble in Alcohol,Ether; Soluble in Dioxane; Slightly soluble in Benzene
Boil Point(°C)333°C
Melt Point(°C)177-181°C
Molecular Weight169.610 g/mol
XLogP32.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass169.029 Da
Monoisotopic Mass169.029 Da
Topological Polar Surface Area29.100 Ų
Heavy Atom Count11
Formal Charge0
Complexity141.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Hao Wu, Jingkang Wang, Qi Liu, Shuyi Zong, Beiqian Tian, Xin Huang, Ting Wang, Qiuxiang Yin, Hongxun Hao.  (2020)  Influences and the Mechanism of Additives on Intensifying Nucleation and Growth of p-Methylacetanilide.  CRYSTAL GROWTH & DESIGN,      [PMID:] [10.1021/acs.cgd.9b01325]
2. Hui Yun, Bin Liang, Jiguo Qiu, Long Zhang, Youkang Zhao, Jiandong Jiang, Aijie Wang.  (2016)  Functional Characterization of a Novel Amidase Involved in Biotransformation of Triclocarban and its Dehalogenated Congeners in Ochrobactrum sp. TCC-2.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:27966913] [10.1021/acs.est.6b04885]
Solution Calculators
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