N-(4-Chlorophenyl)formamide - ≥98%(GC) , CAS No.2617-79-0

CAS: 2617-79-0 Cat. No.: N159268 Fórmula: C₇H₆ClNO Peso molecular: 155.58 Beilstein Registry Number: 12(4)1177 Número CE: 621-724-9

GRADE & PURITY ≥98%(GC)

Synonyms

Formamide, N-(4-chlorophenyl)- | p-Chlorfenylamid kyseliny mravenci | 4,4,4-TRIFLUORO-3-OXO-2-(PHENYLHYDRAZONO)BUTYRICACIDETHYLESTER | CAA61779 | AKOS012525266 | FT-0693638 | 4-12-00-01177 (Beilstein Handbook Reference) | AI3-18913 | C1945 | Formic acid p

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Formamide, N-(4-chlorophenyl)- | p-Chlorfenylamid kyseliny mravenci | 4,4,4-TRIFLUORO-3-OXO-2-(PHENYLHYDRAZONO)BUTYRICACIDETHYLESTER | CAA61779 | AKOS012525266 | FT-0693638 | 4-12-00-01177 (Beilstein Handbook Reference) | AI3-18913 | C1945 | Formic acid p

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

488182396

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182396

Sorrisos canónicos

C1=CC(=CC=C1NC=O)Cl

IUPAC Name

N-(4-chlorophenyl)formamide

InChIKey

LMLFHXMNNHGRRO-UHFFFAOYSA-N

INCHI

1S/C7H6ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-5H,(H,9,10)

SMILES isoméricas

C1=CC(=CC=C1NC=O)Cl

RTECS

LQ4666000

Peso molecular

155.58

Beilstein

12(4)1177

Reaxy-Rn

2206008

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2206008&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: N-arylamides Chlorobenzenes Aryl chlorides Secondary carboxylic acid amides Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 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
• Descrição: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in Methanol
• Ponto de fusão (°C): 104 °C
• Peso molecular: 155.580 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 155.014 Da
• Monoisotopic Mass: 155.014 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 110.000
• 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