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

CAS: 85-29-0 Cat. No.: D134755 分子式: C₁₃H₈Cl₂O 分子量: 251.11 Beilstein Registry Number: 7(3)2075 EC番号: 201-596-7

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488183803

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

分子量

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
    • 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 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
• 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

関連ターゲット（非人間）

Trypanosoma cruzi (99888 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 沸点（°C）: 214°C/22mmHg(lit.)
• 融点（°C）: 64℃-66℃
• 分子量: 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

よくある質問

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.