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

CAS: 1210-34-0 Cat. No.: D348797 Molecular Weight: 210.27 Beilstein Registry Number: 520430 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504752575
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752575
• Canonical Smiles: 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
• Isomeric SMILES: C1CC2=CC=CC=C2C(C3=CC=CC=C31)O
• RTECS: HP1100000
• Molecular Weight: 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
    • Class Dibenzocycloheptenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in water (partly).Chloroform (Slightly), Ethyl Acetate (Slightly)
• Sensitivity: Hygroscopic
• Refractive Index: n20D1.63 (Predicted)
• Boil Point(°C): 166-169° C at 1 mmHg
• Melt Point(°C): 90-96ºC
• Molecular Weight: 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