2',5-Dichloro-2-hydroxybenzophenone - ≥98% , CAS No.61785-35-1

CAS: 61785-35-1 Cat. No.: D154653 Summenformel: C₁₃H₈Cl₂O₂ Molekulargewicht: 267.11 EG-Nummer: 262-965-6

GRADE & PURITY ≥98%

Synonyms

DTXSID10210774 | 4-chloro-2-(2-chlorobenzoyl)phenol | A833416 | AKOS015889030 | (2-chlorophenyl)-(5-chloro-2-hydroxyphenyl)-methanone | Methanone,(5-chloro-2-hydroxyphenyl)(2-chlorophenyl)- | 2',5-Dichloro-2-hydroxybenzophenone, 97% | (5-chloranyl-2-oxida

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

DTXSID10210774 | 4-chloro-2-(2-chlorobenzoyl)phenol | A833416 | AKOS015889030 | (2-chlorophenyl)-(5-chloro-2-hydroxyphenyl)-methanone | Methanone,(5-chloro-2-hydroxyphenyl)(2-chlorophenyl)- | 2',5-Dichloro-2-hydroxybenzophenone, 97% | (5-chloranyl-2-oxida

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488192770

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192770

Kanonisches Lächeln

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

IUPAC Name

(5-chloro-2-hydroxyphenyl)-(2-chlorophenyl)methanone

InChIKey

OSXVZDOVYCTYCW-UHFFFAOYSA-N

INCHI

1S/C13H8Cl2O2/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7,16H

Isomere SMILES

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

WGK Deutschland

3

Molekulargewicht

267.11

Reaxy-Rn

3312174

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3312174&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones P-chlorophenols Benzoyl derivatives Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Vinylogous halides Vinylogous acids Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Benzoyl - Aryl ketone - 4-chlorophenol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Phenol - Halobenzene - Aryl chloride - Aryl halide - Vinylogous acid - Vinylogous halide - Ketone - Organochloride - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive
• Schmelzpunkt (°C): 106-110°C
• Molekulargewicht: 267.100 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 265.99 Da
• Monoisotopic Mass: 265.99 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 283.000
• 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