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

CAS: 117-99-7 Cat. No.: H156994 Formula: C₁₃H₁₀O₂ Peso molecolare: 198.22 Beilstein Registry Number: 8155 Numero EC: 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

Conservare a 2-8°C

Shipped In

Ghiaccio umido

Panoramica

Solitamente viene utilizzato per quantificare i metaboliti di estratti non metilati dai surnatanti di colture di Pseudomonas acidovorans cresciute con 1,1-difeniletilene.

Specifications

Sinonimi

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

Specifiche e purezza

≥95%(GC)

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C

Spedito in

Ghiaccio umido

Purezza

≥95%(GC)

Nomi e identificatori

Pubchem Sid

504751651

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

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

WGK Germania

3

Peso molecolare

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
    • 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 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Heat Sensitive
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 113 °C
• Punto di ebollizione (°C): 148 °C/5 mmHg
• Punto di fusione (°C): 37 °C
• Peso molecolare: 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