2-Hydroxybenzophenone - ≥95%(GC) , CAS No.117-99-7

CAS: 117-99-7 Cat. No.: H156994 分子式: C₁₃H₁₀O₂ 分子量: 198.22 Beilstein Registry Number: 8155 EC番号: 204-226-2

GRADE & PURITY ≥95%(GC)

Synonyms

2-hydroxyphenyl phenyl methanone | NCGC00258095-01 | O-HYDROXYBENZOPHENONE | DTXCID5027855 | Methanone, (2-hydroxyphenyl)phenyl- | (2-Hydroxyphenyl)phenylmethanone | 2-Hydroxybenzophenone, 99% | DTXSID5047879 | NCGC00257431-01 | (2-hydroxyphenyl)(phenyl)m

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

Usually used to quantify the metabolites of unmethylated extracts from the supernatants of Pseudomonas acidovorans cultures grown on 1,1-diphenylethylene.

Specifications

同義語

2-hydroxyphenyl phenyl methanone | NCGC00258095-01 | O-HYDROXYBENZOPHENONE | DTXCID5027855 | Methanone, (2-hydroxyphenyl)phenyl- | (2-Hydroxyphenyl)phenylmethanone | 2-Hydroxybenzophenone, 99% | DTXSID5047879 | NCGC00257431-01 | (2-hydroxyphenyl)(phenyl)m

仕様と純度

≥95%(GC)

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%(GC)

名前と識別子

パブケム・シド

504751651

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504751651

カノニカル・スマイル

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2O

IUPAC Name

(2-hydroxyphenyl)-phenylmethanone

InChIKey

HJIAMFHSAAEUKR-UHFFFAOYSA-N

INCHI

1S/C13H10O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,14H

異性体SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2O

WGKドイツ

3

分子量

198.22

Beilstein

8155

Reaxy-Rn

1638174

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1638174&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 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Aryl ketone - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen 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

作用メカニズム

化学的性質と物理的性質

• 感度: Heat Sensitive
• 引火点（°F）: 235.4 °F
• 引火点（°C）: 113 °C
• 沸点（°C）: 148 °C/5 mmHg
• 融点（°C）: 37 °C
• 分子量: 198.220 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 198.068 Da
• Monoisotopic Mass: 198.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 219.000
• 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