3,4-Dihydroxybenzophenone - ≥98% , CAS No.10425-11-3

CAS: 10425-11-3 Cat. No.: D154649 Formule: C₁₃H₁₀O₃ Poids moléculaire: 214.22 Beilstein Registry Number: 8(4)2449 Numéro CE: 600-547-0

GRADE & PURITY ≥98%

Synonyms

KUC106680N | SCHEMBL142204 | ARWCZKJISXFBGI-UHFFFAOYSA-N | KSC-11-207-11 | 3,4-Dihydroxybenzophenone, 97% | [3,4-bis(oxidanyl)phenyl]-phenyl-methanone | Cambridge id 5477713 | Oprea1_477578 | AC-28141 | AC-8750 | J-511202 | (3,4-dihydroxyphenyl)(phenyl)me

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

KUC106680N | SCHEMBL142204 | ARWCZKJISXFBGI-UHFFFAOYSA-N | KSC-11-207-11 | 3,4-Dihydroxybenzophenone, 97% | [3,4-bis(oxidanyl)phenyl]-phenyl-methanone | Cambridge id 5477713 | Oprea1_477578 | AC-28141 | AC-8750 | J-511202 | (3,4-dihydroxyphenyl)(phenyl)me

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 508808652
• Sourires canoniques: C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)O)O
• IUPAC Name: (3,4-dihydroxyphenyl)-phenylmethanone
• InChIKey: ARWCZKJISXFBGI-UHFFFAOYSA-N
• INCHI: 1S/C13H10O3/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8,14-15H
• Isomères SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)O)O
• WGK Allemagne: 3
• Poids moléculaire: 214.22
• Beilstein: 8(4)2449
• Reaxy-Rn: 1875710
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1875710&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 Catechols Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Aryl ketone - Catechol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 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

Cibles associées (humaines)

MRC5 (9203 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cibles associées (non humaines)

Trypanosoma brucei brucei (13300 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in Methanol
• Point de fusion (°C): 148 °C
• Poids moléculaire: 214.220 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 214.063 Da
• Monoisotopic Mass: 214.063 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 246.000
• 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