3-Chlorobenzophenone - ≥98%(GC) , CAS No.1016-78-0

CAS: 1016-78-0 Cat. No.: C153776 Formule: C₁₃H₉ClO Poids moléculaire: 216.66 Beilstein Registry Number: 7419 Numéro CE: 213-809-0

QUALITÉ & PURETÉ ≥98%(GC)

Synonyms

(3-Chlorophenyl)(phenyl)methanone|(3-Chlorophenyl)(phenyl)methanone;Benzophenone, 3-chloro-|m-Chlorobenzophenone|3-Chlorobenzophenone|Methanone, (3-chlorophenyl)pheny-|(3-Chloro-phenyl)-phenyl-methanone|(3-chlorophenyl)-phenylmethanone|5-chlorobenzophenone|(3-Chlorophenyl)(phenyl)methanone #|Benzophenone, 3-chloro-|Methanone, (3-chlorophenyl)phenyl-

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

(3-Chlorophenyl)(phenyl)methanone | (3-Chlorophenyl)(phenyl)methanone;Benzophenone, 3-chloro- | m-Chlorobenzophenone | 3-Chlorobenzophenone | Methanone, (3-chlorophenyl)pheny- | (3-Chloro-phenyl)-phenyl-methanone | (3-chlorophenyl)-phenylmethanone | 5-chlorobenzophenone | (3-Chlorophenyl)(phenyl)methanone # | Benzophenone, 3-chloro- | Met Afficher plus

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488183730

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183730

Sourires canoniques

C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)Cl

IUPAC Name

(3-chlorophenyl)-phenylmethanone

InChIKey

CPLWKNRPZVNELG-UHFFFAOYSA-N

INCHI

1S/C13H9ClO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H

Isomères SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)Cl

Poids moléculaire

216.66

Beilstein

7419

Reaxy-Rn

1869822

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1869822&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Chlorobenzenes Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzoyl - Aryl ketone - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Ketone - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

Propriétés chimiques et physiques

• Point d'ébullition (°C): 332°C(lit.)
• Point de fusion (°C): 83°C(lit.)
• Poids moléculaire: 216.660 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 216.034 Da
• Monoisotopic Mass: 216.034 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 221.000
• 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