2-(3-Chlorophenyl)acetamide - ≥97% , CAS No.58357-84-9

CAS: 58357-84-9 Cat. No.: C194062 分子式: C₈H₈ClNO 分子量: 169.61

GRADE & PURITY ≥97%

Synonyms

SCHEMBL1395822 | SY110646 | FT-0762533 | Z992289380 | 3-chlorophenylethanamide | 2-(3-chlorophenyl)acetamide | 2-(3-Chloro-phenyl)-acetamide | 2-(3-Chlorophenyl)acetamide, AldrichCPR | EN300-6771935 | FBSIKJFOVXUNMI-UHFFFAOYSA-N | MFCD09991645 | DS-18135

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

SCHEMBL1395822 | SY110646 | FT-0762533 | Z992289380 | 3-chlorophenylethanamide | 2-(3-chlorophenyl)acetamide | 2-(3-Chloro-phenyl)-acetamide | 2-(3-Chlorophenyl)acetamide, AldrichCPR | EN300-6771935 | FBSIKJFOVXUNMI-UHFFFAOYSA-N | MFCD09991645 | DS-18135

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

488195361

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488195361

カノニカル・スマイル

C1=CC(=CC(=C1)Cl)CC(=O)N

IUPAC Name

2-(3-chlorophenyl)acetamide

InChIKey

FBSIKJFOVXUNMI-UHFFFAOYSA-N

INCHI

1S/C8H8ClNO/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H2,10,11)

異性体SMILES

C1=CC(=CC(=C1)Cl)CC(=O)N

分子量

169.61

Reaxy-Rn

2575009

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2575009&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Phenylacetamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Phenylacetamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetamides
• Alternative Parents: Chlorobenzenes Aryl chlorides Primary carboxylic acid amides Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylacetamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
• External Descriptors: Not available

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

化学的性質と物理的性質

• 分子量: 169.610 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 169.029 Da
• Monoisotopic Mass: 169.029 Da
• Topological Polar Surface Area: 43.100 Ų
• 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

よくある質問

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 58357-84-9, the molecular formula is C8H8ClNO, and the molecular weight is 169.61 g/mol. InChIKey FBSIKJFOVXUNMI-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.