3-Bromobenzophenone - ≥98% , CAS No.1016-77-9

CAS: 1016-77-9 Cat. No.: B165455 Fórmula: C₁₃H₉BrO Peso molecular: 261.11 Número CE: 213-808-5

GRAU & PUREZA ≥98%

Synonyms

Phenyl(3-bromophenyl) ketone|3-Bromobenzophenone|(3-bromophenyl)(phenyl)methanone|Methanone, (3-bromophenyl)phenyl-|(3-bromophenyl)phenylmethanone|(3-Bromo-phenyl)-phenyl-methanone|(3-bromophenyl)-phenylmethanone|(3-bromophenyl)-phenyl-methanone|m-bromobenzophenone

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

Phenyl(3-bromophenyl) ketone | 3-Bromobenzophenone | (3-bromophenyl)(phenyl)methanone | Methanone, (3-bromophenyl)phenyl- | (3-bromophenyl)phenylmethanone | (3-Bromo-phenyl)-phenyl-methanone | (3-bromophenyl)-phenylmethanone | (3-bromophenyl)-phenyl-methanone | m-bromobenzophenone

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

508809005

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809005

Sorrisos canónicos

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

IUPAC Name

(3-bromophenyl)-phenylmethanone

InChIKey

XNUMUNIJQMSNNN-UHFFFAOYSA-N

INCHI

1S/C13H9BrO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H

SMILES isoméricas

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

WGK Alemanha

3

Peso molecular

261.11

Reaxy-Rn

2047053

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047053&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 Bromobenzenes Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzoyl - Aryl ketone - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Ketone - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - 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

• Ponto de fusão (°C): 74-78℃
• Peso molecular: 261.110 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 259.984 Da
• Monoisotopic Mass: 259.984 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 221.000
• 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