4′-Chloroacetoacetanilide - ≥98% , CAS No.101-92-8

CAS: 101-92-8 Cat. No.: C115335 Formule: C₁₀H₁₀ClNO₂ Poids moléculaire: 211.64 Numéro CE: 202-989-6

QUALITÉ & PURETÉ ≥98%

Synonyms

4'-Chloroacetoacetanilide|Acetoacetanilide, p-chloro-|N-Acetoacetyl-4-chloroaniline|Butanamide, N-(4-chlorophenyl)-3-oxo-|p-Chlorodiacetanilide|PARA-CHLOROACETOACETANILIDE|Acetoacet-p-chloroamilide|N-(4-Chlorophenyl)acetylacetamide|P-CHLOROACETOACETANILIDE|N-(4-Chlorophenyl)acetoacetamide|N-(4-Chloro-phenyl)-3-oxo-butyramide|Acetoacetyl-4-chloroanilide|N-(4-Chlorophenyl)-3-oxobutanamide|N-(4-Chlorphenyl)-acetoacetamid|Acetoacetic acid-4-chloroanilide|N-(4-Chlorophenyl)-3-oxobutanamide #|Butanamide, 3-oxo-N-(4-chlorophenyl)-|Acetoacet-p-chloroanilide|4 inverted exclamation mark -Chloroacetoacetanilide

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

4'-Chloroacetoacetanilide | Acetoacetanilide, p-chloro- | N-Acetoacetyl-4-chloroaniline | Butanamide, N-(4-chlorophenyl)-3-oxo- | p-Chlorodiacetanilide | PARA-CHLOROACETOACETANILIDE | Acetoacet-p-chloroamilide | N-(4-Chlorophenyl)acetylacetamide | P-CHLOROACETOACETANILIDE | N-(4-Chlorophenyl)acetoacetamide | N-(4-Chloro-phenyl)-3-oxo-buty Afficher plus

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488180496

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180496

Sourires canoniques

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

IUPAC Name

N-(4-chlorophenyl)-3-oxobutanamide

InChIKey

JMRJWEJJUKUBEA-UHFFFAOYSA-N

INCHI

1S/C10H10ClNO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14)

Isomères SMILES

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

WGK Allemagne

1

RTECS

AK4375000

Poids moléculaire

211.64

Reaxy-Rn

1819161

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1819161&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 Fatty amides Aryl chlorides 1,3-dicarbonyl compounds Secondary carboxylic acid amides Ketones Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - N-arylamide - Chlorobenzene - Halobenzene - Aryl halide - Fatty acyl - 1,3-dicarbonyl compound - Fatty amide - Aryl chloride - Carboxamide group - Secondary carboxylic acid amide - Ketone - Carboxylic acid derivative - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Description: 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: anilide

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

Propriétés chimiques et physiques

• Point de fusion (°C): 132°C
• Poids moléculaire: 211.640 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 211.04 Da
• Monoisotopic Mass: 211.04 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 222.000
• 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