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

CAS: 117-99-7 Cat. No.: H156994 Formule: C₁₃H₁₀O₂ Poids moléculaire: 198.22 Beilstein Registry Number: 8155 Numéro CE: 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

Vue d’ensemble

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

Specifications

Synonymes

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

Spécifications et pureté

≥95%(GC)

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%(GC)

Noms et identifiants

Pubchem Sid

504751651

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

Poids moléculaire

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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Heat Sensitive
• Point d'éclair (°F): 235.4 °F
• Point d'éclair (°C): 113 °C
• Point d'ébullition (°C): 148 °C/5 mmHg
• Point de fusion (°C): 37 °C
• Poids moléculaire: 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