4-Chlorobenzophenone - ≥99% , CAS No.134-85-0

CAS: 134-85-0 Cat. No.: C100737 Formula: C₁₃H₉ClO Peso molecolare: 216.66 Beilstein Registry Number: 512043 Numero EC: 205-160-7

GRADE & PURITY ≥99%

Synonyms

(4-Chlorophenyl)(phenyl)methanone | p-Chlorobenzophenone

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

(4-Chlorophenyl)(phenyl)methanone | p-Chlorobenzophenone

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

488180850

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180850

Sorrisi canonici

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

IUPAC Name

(4-chlorophenyl)-phenylmethanone

InChIKey

UGVRJVHOJNYEHR-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

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

WGK Germania

3

Peso molecolare

216.66

Beilstein

512043

Reaxy-Rn

512043

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=512043&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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): 143 °C
• Punto di infiammabilità (°C): 143°C
• Punto di ebollizione (°C): 195-196°C/17mmHg
• Punto di fusione (°C): 74-76°C
• Peso molecolare: 216.660 g/mol
• XLogP3: 4.100
• 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: 213.000
• 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