5-Dibenzosuberenone - ≥97%(GC) , CAS No.2222-33-5

CAS: 2222-33-5 Cat. No.: D133741 Formula: C₁₅H₁₀O Peso molecolare: 206.24 Beilstein Registry Number: 743171 Numero EC: 218-737-3

GRADE & PURITY ≥97%(GC)

Synonyms

NSC 86151 | 5H-Dibenzo[a,d]cycloheptenone | FT-0602562 | Dibenzo[b,f]cyclohepten-1-one | MFCD00003588 | PD014063 | 2,3:6,7-Dibenzosuberen-4-on-1 | DIBENZOCYCLOHEPTENONE [USP IMPURITY] | EC 218-737-3 | EINECS 218-737-3 | cid_16679 | W-107494 | 4-07-00-0173

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

NSC 86151 | 5H-Dibenzo[a,d]cycloheptenone | FT-0602562 | Dibenzo[b,f]cyclohepten-1-one | MFCD00003588 | PD014063 | 2,3:6,7-Dibenzosuberen-4-on-1 | DIBENZOCYCLOHEPTENONE [USP IMPURITY] | EC 218-737-3 | EINECS 218-737-3 | cid_16679 | W-107494 | 4-07-00-0173

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%(GC)

Nomi e identificatori

Pubchem Sid

488182278

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182278

Sorrisi canonici

C1=CC=C2C(=C1)C=CC3=CC=CC=C3C2=O

IUPAC Name

tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one

InChIKey

SNVTZAIYUGUKNI-UHFFFAOYSA-N

INCHI

1S/C15H10O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10H

Isomeri SMILES

C1=CC=C2C(=C1)C=CC3=CC=CC=C3C2=O

WGK Germania

3

RTECS

HP1147500

Peso molecolare

206.24

Beilstein

743171

Reaxy-Rn

743171

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=743171&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbon derivatives
    • Classe Tropones

• Kingdom: Organic compounds
• Superclass: Hydrocarbon derivatives
• Classe: Tropones
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tropones
• Alternative Parents: Benzenoids Organooxygen compounds Organic oxides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tropone - Benzenoid - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as tropones. These are compounds containing a tropone ring, which is a cycloheptatrienone ring bearing a ketone group.
• 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

Obiettivi associati (umani)

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

Discover Target: BAZ2B

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

Obiettivi associati (non umani)

skn-1 Protein skinhead-1 (1832 Activities)

Discover Target: skn-1

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in chloroform, ethyl acetate. Insoluble in water.
• Punto di ebollizione (°C): 210°C/3mmHg
• Punto di fusione (°C): 88.0-91.0℃
• Peso molecolare: 206.240 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 206.073 Da
• Monoisotopic Mass: 206.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 277.000
• 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 is the purity of this product, and how is it determined?

This product is supplied at ≥97% 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 2222-33-5, the molecular formula is C15H10O, and the molecular weight is 206.24 g/mol. InChIKey SNVTZAIYUGUKNI-UHFFFAOYSA-N.

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.