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

CAS: 876-53-9 Cat. No.: D155459 Formule: C₁₀H₁₄Br₂ Poids moléculaire: 294.03 Beilstein Registry Number: 5(3)394 Numéro CE: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥97%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%(GC)

Noms et identifiants

Pubchem Sid

488189156

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

Poids moléculaire

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
    • Classe Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: 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

Propriétés chimiques et physiques

• Solubilité: Solubility in hot Methanol:almost transparency
• Point de fusion (°C): 111 °C
• Poids moléculaire: 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

Foire aux 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.