1,3-Dibromoadamantane - ≥97%(GC) , CAS No.876-53-9

CAS: 876-53-9 Cat. No.: D155459 Formula: C₁₀H₁₄Br₂ Molecular Weight: 294.03 Beilstein Registry Number: 5(3)394 EC Number: 963-914-7

GRADE & PURITY ≥97%(GC)

Synonyms

D5654 | AKOS000124968 | J-016445 | EU-0000287 | Tricyclo[3.3.1.13, 1,3-dibromo- | 1,3-Dibromotricyclo[3.3.1.1(3,7)]decane | SCHEMBL18028703 | 1,3-Dibromoadamantane, 99% | AKOS034830328 | SCHEMBL548532 | EN300-99195 | NCIOpen2_007028 | DTXSID90295483 | F00

Storage

Room temperature

Shipped In

Normal

Overview

1,3-Dibromoadamantane is reported to react with diphenylphosphide ions (Ph2P-) under photostimulation by the SRN1 mechanism. The viscosity-dependent retarding effect of 1,3-dibromoadamantane in highly viscous polymeric chlorotrifluoroethene has been studied by 13C NMR relaxation measurements. Preparation of 1,3-dibromoadamantane via dibromination of adamantine has been reported.

Specifications

Synonyms

D5654 | AKOS000124968 | J-016445 | EU-0000287 | Tricyclo[3.3.1.13, 1,3-dibromo- | 1,3-Dibromotricyclo[3.3.1.1(3,7)]decane | SCHEMBL18028703 | 1,3-Dibromoadamantane, 99% | AKOS034830328 | SCHEMBL548532 | EN300-99195 | NCIOpen2_007028 | DTXSID90295483 | F00

Specifications & Purity

≥97%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

Pubchem Sid

488189156

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189156

Canonical Smiles

C1C2CC3(CC1CC(C2)(C3)Br)Br

IUPAC Name

1,3-dibromoadamantane

InChIKey

HLWZKLMEOVIWRK-UHFFFAOYSA-N

INCHI

1S/C10H14Br2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8H,1-6H2

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)Br

WGK Germany

3

Molecular Weight

294.03

Beilstein

5(3)394

Reaxy-Rn

1927462

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1927462&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Organobromides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organobromides
• Alternative Parents: Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as organobromides. These are compounds containing a chemical bond between a carbon atom and a bromine atom.
• 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: Solubility in hot Methanol:almost transparency
• Melt Point(°C): 111 °C
• Molecular Weight: 294.030 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 293.944 Da
• Monoisotopic Mass: 291.946 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 190.000
• 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

Frequently Asked Questions

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 876-53-9, the molecular formula is C10H14Br2, and the molecular weight is 294.03 g/mol. InChIKey HLWZKLMEOVIWRK-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.