Dibenzosuberol - ≥98% , CAS No.1210-34-0

CAS: 1210-34-0 Cat. No.: D348797 Peso molecular: 210.27 Beilstein Registry Number: 520430 Número EC: 214-911-8

GRADE & PURITY ≥98%

Synonyms

10,11-Dihydro-5Hdibenzo[a,d]cicloheptadien-5-ol | 5H-DIBENZO(a,d)CYCLOHEPTEN-5-OL, 10,11-DIHYDRO- | J-004429 | AMITRIPTYLINE HYDROCHLORIDE IMPURITY G [EP IMPURITY] | Dibenzosuberol;5-Hydroxy-10,11-dihydro-5H-dibenzo[a,d][7]annulene | 6,11-dihydro-5H-diben

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

10, 11-Dihydro-5Hdibenzo[a, d]cicloheptadien-5-ol | 5H-DIBENZO(a, d)CYCLOHEPTEN-5-OL, 10, 11-DIHYDRO- | J-004429 | AMITRIPTYLINE HYDROCHLORIDE IMPURITY G [EP IMPURITY] | Dibenzosuberol;5-Hydroxy-10, 11-dihydro-5H-dibenzo[a, d][7]annulene | 6, 11-dihydro-5H-diben

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504752575
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752575
• Sonrisas canónicas: C1CC2=CC=CC=C2C(C3=CC=CC=C31)O
• IUPAC Name: tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
• InChIKey: POAVRNPUPPJLKZ-UHFFFAOYSA-N
• INCHI: 1S/C15H14O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2
• Isómeros SMILES: C1CC2=CC=CC=C2C(C3=CC=CC=C31)O
• RTECS: HP1100000
• Peso molecular: 210.27
• Beilstein: 520430
• Reaxy-Rn: 520430
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=520430&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Dibenzocycloheptenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water (partly).Chloroform (Slightly), Ethyl Acetate (Slightly)
• Sensibilidad: Hygroscopic
• Índice de refracción: n20D1.63 (Predicted)
• Punto de ebullición (°C): 166-169° C at 1 mmHg
• Punto de fusión (°C): 90-96ºC
• Peso molecular: 210.270 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 210.104 Da
• Monoisotopic Mass: 210.104 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 214.000
• 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