4-Chlorobenzamide - ≥98% , CAS No.619-56-7

CAS: 619-56-7 Cat. No.: C153725 Formule: C₇H₆ClNO Poids moléculaire: 155.58 Beilstein Registry Number: 9(3)1363 Numéro CE: 210-601-1

QUALITÉ & PURETÉ ≥98%

Synonyms

260CV6K0MR | AC-10270 | NSC 74687 | NSC 406894 | SY048513 | STL283912 | 4-CHLOROBENZAMIDE | 4-Chloro-benzamide | DTXSID50210930 | 4-Chlorobenzamide, 98% | AM9945 | FT-0618169 | SB75806 | SCHEMBL8269185 | BDBM50106192 | Benzamide, p-chloro- | NSC74687 | NS

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

260CV6K0MR | AC-10270 | NSC 74687 | NSC 406894 | SY048513 | STL283912 | 4-CHLOROBENZAMIDE | 4-Chloro-benzamide | DTXSID50210930 | 4-Chlorobenzamide, 98% | AM9945 | FT-0618169 | SB75806 | SCHEMBL8269185 | BDBM50106192 | Benzamide, p-chloro- | NSC74687 | NS

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488181537

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181537

Sourires canoniques

C1=CC(=CC=C1C(=O)N)Cl

IUPAC Name

4-chlorobenzamide

InChIKey

BLNVISNJTIRAHF-UHFFFAOYSA-N

INCHI

1S/C7H6ClNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)

Isomères SMILES

C1=CC(=CC=C1C(=O)N)Cl

WGK Allemagne

3

RTECS

CV2443811

Poids moléculaire

155.58

Beilstein

9(3)1363

Reaxy-Rn

774622

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774622&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 4-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 4-halobenzoic acids and derivatives
• Alternative Parents: Benzamides Benzoyl derivatives Chlorobenzenes Aryl chlorides Primary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
• 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

Cibles associées (humaines)

PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)

Discover Target: PARP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 179 °C
• Poids moléculaire: 155.580 g/mol
• XLogP3: 1.600
• 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: 43.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 130.000
• 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