(R)-2,2''-Bis(bromomethyl)-1,1''-binaphthalene - ≥97% , CAS No.86631-56-3

CAS: 86631-56-3 Cat. No.: R281426 Peso molecular: 440.2 PubChem CID: 4185815

GRADE & PURITY ≥97%

Synonyms

SCHEMBL5691676 | MFCD00185730 | (R)-2,2'-Bis(bromomethyl)-1,1'-binaphthalene | 2-(bromomethyl)-1-[2-(bromomethyl)naphthalen-1-yl]naphthalene | VUUUEDHFRJQSSY-UHFFFAOYSA-N | (S)-2,2'-Bis(bromomethyl)-1,1'-binaphthalene | (S)-2,2 inverted exclamation mark -

Storage

Room temperature

Specifications

Sinónimos

SCHEMBL5691676 | MFCD00185730 | (R)-2, 2'-Bis(bromomethyl)-1, 1'-binaphthalene | 2-(bromomethyl)-1-[2-(bromomethyl)naphthalen-1-yl]naphthalene | VUUUEDHFRJQSSY-UHFFFAOYSA-N | (S)-2, 2'-Bis(bromomethyl)-1, 1'-binaphthalene | (S)-2, 2 inverted exclamation mark -

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)CBr)CBr
• IUPAC Name: 2-(bromomethyl)-1-[2-(bromomethyl)naphthalen-1-yl]naphthalene
• InChIKey: VUUUEDHFRJQSSY-UHFFFAOYSA-N
• INCHI: 1S/C22H16Br2/c23-13-17-11-9-15-5-1-3-7-19(15)21(17)22-18(14-24)12-10-16-6-2-4-8-20(16)22/h1-12H,13-14H2
• Isómeros SMILES: C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)CBr)CBr
• PubChem CID: 4185815
• Peso molecular: 440.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

• Peso molecular: 440.200 g/mol
• XLogP3: 7.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 439.96 Da
• Monoisotopic Mass: 437.962 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 371.000
• 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