4',5'-Dichloro-2'-nitroacetanilide - ≥97%(HPLC) , CAS No.5462-30-6

CAS: 5462-30-6 Cat. No.: D155951 Formula: C₈H₆Cl₂N₂O₃ Peso molecolare: 249.05 Numero EC: 623-488-2

GRADE & PURITY ≥97%(HPLC)

Synonyms

9J-546S | N1-(4,5-dichloro-2-nitrophenyl)acetamide | SCHEMBL8513944 | SR-01000309463 | D4907 | 2-(4-chlorophenoxy)-2-thioxo-1,3-dihydro-1,3,2$l^{5}-benzodiazaphosphole;N1-(4,5-Dichloro-2-nitrophenyl)acetamide | AC-20341 | N1-(45-DICHLORO-2-NITROPHENYL)ACE

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

9J-546S | N1-(4,5-dichloro-2-nitrophenyl)acetamide | SCHEMBL8513944 | SR-01000309463 | D4907 | 2-(4-chlorophenoxy)-2-thioxo-1,3-dihydro-1,3,2$l^{5}-benzodiazaphosphole;N1-(4,5-Dichloro-2-nitrophenyl)acetamide | AC-20341 | N1-(45-DICHLORO-2-NITROPHENYL)ACE

Specifiche e purezza

≥97%(HPLC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%(HPLC)

Nomi e identificatori

Pubchem Sid

488188770

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188770

Sorrisi canonici

CC(=O)NC1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl

IUPAC Name

N-(4,5-dichloro-2-nitrophenyl)acetamide

InChIKey

ZEGRPTYRAGSSBH-UHFFFAOYSA-N

INCHI

1S/C8H6Cl2N2O3/c1-4(13)11-7-2-5(9)6(10)3-8(7)12(14)15/h2-3H,1H3,(H,11,13)

Isomeri SMILES

CC(=O)NC1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl

WGK Germania

3

Peso molecolare

249.05

Reaxy-Rn

2855807

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2855807&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Acetanilides - Haloacetanilides
• Direct Parent: M-haloacetanilides
• Alternative Parents: P-haloacetanilides N-acetylarylamines Nitrobenzenes Dichlorobenzenes Nitroaromatic compounds Aryl chlorides Acetamides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organochlorides Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-haloacetanilide - P-haloacetanilide - N-acetylarylamine - Nitrobenzene - Nitroaromatic compound - 1,2-dichlorobenzene - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Acetamide - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Carbonyl group - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organochloride - Organonitrogen compound - Organic zwitterion - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: 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

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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 126 °C
• Peso molecolare: 249.050 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 247.976 Da
• Monoisotopic Mass: 247.976 Da
• Topological Polar Surface Area: 74.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 269.000
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by HPLC. 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 5462-30-6, the molecular formula is C8H6Cl2N2O3, and the molecular weight is 249.05 g/mol. InChIKey ZEGRPTYRAGSSBH-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.