2-Bromobenzophenone - ≥97%(GC) , CAS No.13047-06-8

CAS: 13047-06-8 Cat. No.: B152250 分子式: C₁₃H₉BrO 分子量: 261.12 EC番号: 673-539-8

グレード＆純度 ≥97%(GC)

Synonyms

2-Bromobenzophenone|bromobenzophenone|Methanone, (2-bromophenyl)phenyl-|(2-Bromophenyl)phenylmethanone|(2-bromophenyl)-phenylmethanone|(2-Bromophenyl)(phenyl)methanone|Methanone,(2-bromophenyl)phenyl-|(2-bromophenyl)-phenyl-methanone;(2-Bromophenyl)(phenyl)methanone

Storage

Room temperature

Shipped In

Normal

仕様

同義語

2-Bromobenzophenone | bromobenzophenone | Methanone, (2-bromophenyl)phenyl- | (2-Bromophenyl)phenylmethanone | (2-bromophenyl)-phenylmethanone | (2-Bromophenyl)(phenyl)methanone | Methanone,(2-bromophenyl)phenyl- | (2-bromophenyl)-phenyl-methanone;(2-Bromophenyl)(phenyl)methanone

仕様と純度

≥97%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥97%(GC)

名前と識別子

パブケム・シド

488192723

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488192723

カノニカル・スマイル

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2Br

IUPAC Name

(2-bromophenyl)-phenylmethanone

InChIKey

ABEVIHIQUUXDMS-UHFFFAOYSA-N

INCHI

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

異性体SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2Br

WGKドイツ

3

分子量

261.12

Reaxy-Rn

1949436

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1949436&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 Vinylogous halides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Benzoyl - Aryl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous halide - Ketone - Organohalogen compound - Organobromide - 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

化学的性質と物理的性質

• 溶解度: Soluble in toluene.
• 屈折率: 1.6254
• 引火点（°F）: >230 °F
• 引火点（°C）: >110 °C
• 沸点（°C）: 163°C/4mmHg(lit.)
• 融点（°C）: 42 °C
• 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

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). 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 13047-06-8, the molecular formula is C13H9BrO, and the molecular weight is 261.12 g/mol. InChIKey ABEVIHIQUUXDMS-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.