2,4'-Dichlorobenzophenone - ≥98% , CAS No.85-29-0

CAS: 85-29-0 Cat. No.: D134755 Formule: C₁₃H₈Cl₂O Poids moléculaire: 251.11 Beilstein Registry Number: 7(3)2075 Numéro CE: 201-596-7

QUALITÉ & PURETÉ ≥98%

Synonyms

D0230 | D70596 | Q27279599 | EINECS 201-596-7 | MFCD00038744 | o,p'-Dichlorobenzophenone | o,p-Dichlorobenzophenone | SCHEMBL2991958 | 2,4 inverted exclamation mark -Dichlorobenzophenone | (2-chlorophenyl)(4-chloro phenyl)methanone | NSC 3221 | 2,41-DICHL

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

D0230 | D70596 | Q27279599 | EINECS 201-596-7 | MFCD00038744 | o,p'-Dichlorobenzophenone | o,p-Dichlorobenzophenone | SCHEMBL2991958 | 2,4 inverted exclamation mark -Dichlorobenzophenone | (2-chlorophenyl)(4-chloro phenyl)methanone | NSC 3221 | 2,41-DICHL

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488183803

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183803

Sourires canoniques

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

IUPAC Name

(2-chlorophenyl)-(4-chlorophenyl)methanone

InChIKey

YXMYPHLWXBXNFF-UHFFFAOYSA-N

INCHI

1S/C13H8Cl2O/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H

Isomères SMILES

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

Poids moléculaire

251.11

Beilstein

7(3)2075

Reaxy-Rn

1959090

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1959090&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 Vinylogous halides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Benzoyl - Aryl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Ketone - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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

Cibles associées (non humaines)

Trypanosoma cruzi (99888 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Point d'ébullition (°C): 214°C/22mmHg(lit.)
• Point de fusion (°C): 64℃-66℃
• Poids moléculaire: 251.100 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 249.995 Da
• Monoisotopic Mass: 249.995 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 246.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 85-29-0, the molecular formula is C13H8Cl2O, and the molecular weight is 251.11 g/mol. InChIKey YXMYPHLWXBXNFF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.