2,3',4,4'-Tetrahydroxybenzophenone - ≥90%(GC)(T) , CAS No.61445-50-9

CAS: 61445-50-9 Cat. No.: T162656 Formula: C₁₃H₁₀O₅ Peso molecolare: 246.22 Beilstein Registry Number: 8(2)541 Numero EC: 678-619-6 PubChem CID: 12472902

GRADE & PURITY ≥90%(GC)(T)

Synonyms

[2,4-bis(oxidanyl)phenyl]-[3,4-bis(oxidanyl)phenyl]methanone | AKOS015856205 | T72708 | DTXCID3027950 | 4-(3,4-DIHYDROXYBENZOYL)BENZENE-1,3-DIOL | SCHEMBL125785 | T1371 | DTXSID3047974 | MFCD00142775 | (2,4-dihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

[2,4-bis(oxidanyl)phenyl]-[3,4-bis(oxidanyl)phenyl]methanone | AKOS015856205 | T72708 | DTXCID3027950 | 4-(3,4-DIHYDROXYBENZOYL)BENZENE-1,3-DIOL | SCHEMBL125785 | T1371 | DTXSID3047974 | MFCD00142775 | (2,4-dihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone

Specifiche e purezza

≥90%(GC)(T)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥90%(GC)(T)

Nomi e identificatori

Sorrisi canonici

C1=CC(=C(C=C1C(=O)C2=C(C=C(C=C2)O)O)O)O

IUPAC Name

(2,4-dihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone

InChIKey

UQQYIAVMUUJWGX-UHFFFAOYSA-N

INCHI

1S/C13H10O5/c14-8-2-3-9(11(16)6-8)13(18)7-1-4-10(15)12(17)5-7/h1-6,14-17H

Isomeri SMILES

C1=CC(=C(C=C1C(=O)C2=C(C=C(C=C2)O)O)O)O

PubChem CID

12472902

Peso molecolare

246.22

Beilstein

8(2)541

Reaxy-Rn

2281600

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 Resorcinols Catechols 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 - Diphenylmethane - Aryl-phenylketone - Aryl ketone - Resorcinol - Catechol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - Ketone - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic oxygen 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

Proprietà chimiche e fisiche

• Peso molecolare: 246.210 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 246.053 Da
• Monoisotopic Mass: 246.053 Da
• Topological Polar Surface Area: 98.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 306.000
• 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

Domande frequenti

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.

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

This product is supplied at ≥90% 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 61445-50-9, the molecular formula is C13H10O5, and the molecular weight is 246.22 g/mol. InChIKey UQQYIAVMUUJWGX-UHFFFAOYSA-N.