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

CAS: 539-03-7 Cat. No.: C105638 Summenformel: C₈H₈NOCl Molekulargewicht: 169.61 Beilstein Registry Number: 509638 EG-Nummer: 208-707-8

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

Specifications

Synonyme

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 |

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488181205

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181205

Kanonisches Lächeln

CC(=O)NC1=CC=C(C=C1)Cl

IUPAC Name

N-(4-chlorophenyl)acetamide

InChIKey

GGUOCFNAWIODMF-UHFFFAOYSA-N

INCHI

1S/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)

Isomere SMILES

CC(=O)NC1=CC=C(C=C1)Cl

WGK Deutschland

3

RTECS

AE1001000

Molekulargewicht

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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Anilides
        • Ebene5 Acetanilides
          • Ebene6 Haloacetanilides
            • Ebene7 P-haloacetanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Acetanilides - Haloacetanilides
• Direct Parent: P-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: 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
• Beschreibung: This 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

Data sources

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water; Very soluble in Alcohol,Ether; Soluble in Dioxane; Slightly soluble in Benzene
• Siedepunkt (°C): 333°C
• Schmelzpunkt (°C): 177-181°C
• Molekulargewicht: 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 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 141.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 539-03-7, the molecular formula is C8H8NOCl, and the molecular weight is 169.61 g/mol. InChIKey GGUOCFNAWIODMF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.