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

CAS: 1016-77-9 Cat. No.: B165455 分子式: C₁₃H₉BrO 分子量: 261.11 EC番号: 213-808-5

グレード＆純度 ≥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

仕様

同義語

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

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

508809005

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

3

分子量

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
    • 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 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
• 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

化学的性質と物理的性質

• 融点（°C）: 74-78℃
• 分子量: 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