1-Bromo-3,5-dimethyladamantane - ≥98% , CAS No.941-37-7

CAS: 941-37-7 Cat. No.: B107933 Peso molecular: 243.18 Beilstein Registry Number: 1927510 Número EC: 213-378-9

GRADE & PURITY ≥98%

Synonyms

1,3-dimethyl-5-bromoadamantane | 1-Bromo-3,5-Dimethyl adamantane | SE68KQ68T1 | UNII-SE68KQ68T1 | 1-bromo-3,5dimethyladamantane | 1-Bromo-3,5-dimethyladamantane | 1-bromo-3,5-dimethyl-adamantane | AS-14308 | MFCD00077197 | FT-0663716 | KX01 | N-((S)-1-(4-

Storage

Protected from light,Room temperature

Shipped In

Normal

Descripción general

1-Bromo-3,5-dimethyladamantane was used in the one pot synthesis of 1,3-dicarbonyl adamantanes. It was also used in the synthesis of 3,5-dimethyladamantan-1-ol.

Specifications

Sinónimos

1, 3-dimethyl-5-bromoadamantane | 1-Bromo-3, 5-Dimethyl adamantane | SE68KQ68T1 | UNII-SE68KQ68T1 | 1-bromo-3, 5dimethyladamantane | 1-Bromo-3, 5-dimethyladamantane | 1-bromo-3, 5-dimethyl-adamantane | AS-14308 | MFCD00077197 | FT-0663716 | KX01 | N-((S)-1-(4-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488187116
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187116
• Sonrisas canónicas: CC12CC3CC(C1)(CC(C3)(C2)Br)C
• IUPAC Name: 1-bromo-3,5-dimethyladamantane
• InChIKey: QUCXLVDIVQWYJR-UHFFFAOYSA-N
• INCHI: 1S/C12H19Br/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3
• Isómeros SMILES: CC12CC3CC(C1)(CC(C3)(C2)Br)C
• WGK Alemania: 3
• Peso molecular: 243.18
• Beilstein: 1927510
• Reaxy-Rn: 1927514
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1927514&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water (partly miscible).
• Sensibilidad: Light sensitive.
• Índice de refracción: 1.52
• Punto de inflamación (°F): 228.2 °F
• Punto de inflamación (°C): 109 °C
• Punto de ebullición (°C): 201°C
• Peso molecular: 243.180 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 242.067 Da
• Monoisotopic Mass: 242.067 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 240.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1