2',4'-Difluoroacetanilide - ≥98% , CAS No.399-36-0

CAS: 399-36-0 Cat. No.: D155095 分子式: C₈H₇F₂NO 分子量: 171.15 Beilstein Registry Number: 12(1)297 EC番号: 609-757-7

グレード＆純度 ≥98%

Synonyms

DTXSID00192939 | N-acetyl-2,4-difluoroaniline | AKOS003887313 | MFCD00032502 | AMY8853 | Maybridge1_001023 | A824811 | D3578 | ethyl-2-chloropyrimidine-5-carboxylate | 3-(4-Chloro-[1,2,5]thiadiazol-3-yl)-pyridine | SR-01000637070-1 | Acetamide, N-(2,4-dif

Storage

Room temperature

Shipped In

Normal

仕様

同義語

DTXSID00192939 | N-acetyl-2,4-difluoroaniline | AKOS003887313 | MFCD00032502 | AMY8853 | Maybridge1_001023 | A824811 | D3578 | ethyl-2-chloropyrimidine-5-carboxylate | 3-(4-Chloro-[1,2,5]thiadiazol-3-yl)-pyridine | SR-01000637070-1 | Acetamide, N-(2,4-dif

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488186968

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488186968

カノニカル・スマイル

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

IUPAC Name

N-(2,4-difluorophenyl)acetamide

InChIKey

WOHLPEUHFSHZAN-UHFFFAOYSA-N

INCHI

1S/C8H7F2NO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12)

異性体SMILES

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

分子量

171.15

Beilstein

12(1)297

Reaxy-Rn

2832300

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2832300&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Acetanilides
          • Level6 Haloacetanilides
            • Level7 O-haloacetanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Acetanilides - Haloacetanilides
• Direct Parent: O-haloacetanilides
• Alternative Parents: P-haloacetanilides N-acetylarylamines Fluorobenzenes Aryl fluorides Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-haloacetanilide - P-haloacetanilide - N-acetylarylamine - N-arylamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as o-haloacetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group, which is in turn ortho-substituted with a halogen atom.
• 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

• 融点（°C）: 122 °C
• 分子量: 171.140 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.05 Da
• Monoisotopic Mass: 171.05 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 174.000
• 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

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 399-36-0, the molecular formula is C8H7F2NO, and the molecular weight is 171.15 g/mol. InChIKey WOHLPEUHFSHZAN-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.