3,4-Dimethylbenzophenone - ≥99% , CAS No.2571-39-3

CAS: 2571-39-3 Cat. No.: D106332 Fórmula: C₁₅H₁₄O Peso molecular: 210.27 Beilstein Registry Number: 7(4)1433 Número CE: 219-916-9

GRADE & PURITY ≥99%

Synonyms

DS-4965 | MFCD00008525 | W-107223 | InChI=1/C15H14O/c1-11-8-9-14(10-12(11)2)15(16)13-6-4-3-5-7-13/h3-10H,1-2H3 | AKOS001046622 | JENOLWCGNVWTJN-UHFFFAOYSA- | NSC 10172 | (3,4-Dimethylphenyl)(phenyl)methanone | Benzophenone, 3,4-dimethyl- | FT-0614375 | NC

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DS-4965 | MFCD00008525 | W-107223 | InChI=1/C15H14O/c1-11-8-9-14(10-12(11)2)15(16)13-6-4-3-5-7-13/h3-10H,1-2H3 | AKOS001046622 | JENOLWCGNVWTJN-UHFFFAOYSA- | NSC 10172 | (3,4-Dimethylphenyl)(phenyl)methanone | Benzophenone, 3,4-dimethyl- | FT-0614375 | NC

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

504754985

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754985

Sorrisos canónicos

CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)C

IUPAC Name

(3,4-dimethylphenyl)-phenylmethanone

InChIKey

JENOLWCGNVWTJN-UHFFFAOYSA-N

INCHI

1S/C15H14O/c1-11-8-9-14(10-12(11)2)15(16)13-6-4-3-5-7-13/h3-10H,1-2H3

SMILES isoméricas

CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)C

WGK Alemanha

3

Peso molecular

210.27

Beilstein

7(4)1433

Reaxy-Rn

1952043

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1952043&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 o-Xylenes Benzoyl derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - O-xylene - Xylene - Aryl ketone - Benzoyl - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Methanol
• Índice de refração: 1.6
• Ponto de inflamação (°F): 113 °C
• Ponto de inflamação (°C): 113°C
• Ponto de ebulição (°C): 335°C
• Ponto de fusão (°C): 45°C
• Peso molecular: 210.270 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 210.104 Da
• Monoisotopic Mass: 210.104 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 240.000
• 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