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

CAS: 1016-77-9 Cat. No.: B165455 Summenformel: C₁₃H₉BrO Molekulargewicht: 261.11 EG-Nummer: 213-808-5

QUALITÄT & REINHEIT ≥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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508809005

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

WGK Deutschland

3

Molekulargewicht

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
    • 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 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
• 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

• Schmelzpunkt (°C): 74-78℃
• Molekulargewicht: 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