Dibenzosuberenol - ≥96% , CAS No.10354-00-4

CAS: 10354-00-4 Cat. No.: D165563 Formula: C₁₅H₁₂O Peso molecolare: 208.26

GRADE & PURITY ≥96%

Synonyms

O11443 | 5H-dibenzo-[a,d]-cyclohepten-5-ol | 5H-Dibenzo[a,d]cyclohepten-5-ol | MFCD00003586 | 11H-dibenzo[[?],[?]][7]annulen-11-ol | Q27289095 | FT-0624630 | phosphoric acid;7H-purin-6-amine | J-000997 | tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-h

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

Usually used as reactant involved in oxidation with tert-butylhydroperoxide in water for synthesis of carboxylic acids and ketones,synthesis of tachykinin neurokinin-1 receptor antagonists,pauson-Khand reaction mechanism studies,mapping the active site of aziridination catalysts.

Specifications

Sinonimi

O11443 | 5H-dibenzo-[a,d]-cyclohepten-5-ol | 5H-Dibenzo[a,d]cyclohepten-5-ol | MFCD00003586 | 11H-dibenzo[[?],[?]][7]annulen-11-ol | Q27289095 | FT-0624630 | phosphoric acid;7H-purin-6-amine | J-000997 | tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-h

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥96%

Nomi e identificatori

• Pubchem Sid: 504755616
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755616
• Sorrisi canonici: C1=CC=C2C(C3=CC=CC=C3C=CC2=C1)O
• IUPAC Name: tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
• InChIKey: SRIISEYIFDTFRZ-UHFFFAOYSA-N
• INCHI: 1S/C15H12O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10,15-16H
• Isomeri SMILES: C1=CC=C2C(C3=CC=CC=C3C=CC2=C1)O
• Peso molecolare: 208.26
• Reaxy-Rn: 1957458
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1957458&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Dibenzocycloheptenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Dibenzocycloheptenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzocycloheptenes
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Dibenzocycloheptene - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dibenzocycloheptenes. These are compounds containing a dibenzocycloheptene moiety, which consists of two benzene rings connected by a cycloheptene ring.
• 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

• Punto di fusione (°C): 122.5-124 °C (lit.)
• Peso molecolare: 208.250 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 208.089 Da
• Monoisotopic Mass: 208.089 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 245.000
• 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?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 10354-00-4, the molecular formula is C15H12O, and the molecular weight is 208.26 g/mol. InChIKey SRIISEYIFDTFRZ-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.