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

CAS: 134-85-0 Cat. No.: C100737 分子式: C₁₃H₉ClO 分子量: 216.66 Beilstein Registry Number: 512043 EC番号: 205-160-7

GRADE & PURITY ≥99%

Synonyms

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

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

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

仕様と純度

≥99%

保管条件

Room temperature

入荷

Normal

純度

≥99%

名前と識別子

パブケム・シド

488180850

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

3

分子量

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
    • 分類 Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 引火点（°F）: 143 °C
• 引火点（°C）: 143°C
• 沸点（°C）: 195-196°C/17mmHg
• 融点（°C）: 74-76°C
• 分子量: 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