Dibenzosuberyl Chloride - ≥98% , CAS No.1210-33-9

CAS: 1210-33-9 Cat. No.: D154778 Molecular Weight: 228.72 Beilstein Registry Number: 5(4)2198 EC Number: 214-910-2

GRADE & PURITY ≥98%

Synonyms

Dibenzosuberyl chloride | EINECS 214-910-2 | 5-chloro-10,11-dihydro-5H-dibenzo[a,d][7]annulene | BRN 0612280 | D2461 | WLN: L C676&T&J BG | 4-05-00-02198 (Beilstein Handbook Reference) | 5-Chlorodibenzosuberane, 96% | J-004428 | 5-Chlorodibenzosuberane |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Dibenzosuberyl chloride | EINECS 214-910-2 | 5-chloro-10, 11-dihydro-5H-dibenzo[a, d][7]annulene | BRN 0612280 | D2461 | WLN: L C676&T&J BG | 4-05-00-02198 (Beilstein Handbook Reference) | 5-Chlorodibenzosuberane, 96% | J-004428 | 5-Chlorodibenzosuberane |

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

• Canonical Smiles: C1CC2=CC=CC=C2C(C3=CC=CC=C31)Cl
• IUPAC Name: 2-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
• InChIKey: QPERNSDCEUTOTE-UHFFFAOYSA-N
• INCHI: 1S/C15H13Cl/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15H,9-10H2
• Isomeric SMILES: C1CC2=CC=CC=C2C(C3=CC=CC=C31)Cl
• WGK Germany: 3
• RTECS: HO8302000
• Molecular Weight: 228.72
• Beilstein: 5(4)2198
• Reaxy-Rn: 612280
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=612280&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: Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Dibenzocycloheptene - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - 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

• Sensitivity: Moisture sensitive
• Melt Point(°C): 106-107 °C
• Molecular Weight: 228.710 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 228.071 Da
• Monoisotopic Mass: 228.071 Da
• Topological Polar Surface Area: 0.000 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