1-Bromoundecane - ≥98%(GC) , CAS No.693-67-4

CAS: 693-67-4 Cat. No.: B152912 Peso molecular: 235.21 Beilstein Registry Number: 1098390 Número EC: 211-757-3

GRADE & PURITY ≥98%(GC)

Synonyms

AS-56683 | EN300-36202 | 1-BROMO UNDECANE | Undecyl bromide | DTXCID9029308 | n-Undecyl bromide | undecylbromide | 1-bromanylundecane | AKOS005622681 | CAS-693-67-4 | LJV3NK56M6 | MFCD00000223 | NCGC00260411-01 | Undecane, 1-bromo- | SCHEMBL585266 | 12198

Storage

Room temperature

Shipped In

Normal

Application

228,229

Descripción general

It was used in the preparation of Grignard reagent by reacting with Mg in THF (tetrahydrofuran).

Specifications

Sinónimos

AS-56683 | EN300-36202 | 1-BROMO UNDECANE | Undecyl bromide | DTXCID9029308 | n-Undecyl bromide | undecylbromide | 1-bromanylundecane | AKOS005622681 | CAS-693-67-4 | LJV3NK56M6 | MFCD00000223 | NCGC00260411-01 | Undecane, 1-bromo- | SCHEMBL585266 | 12198

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488181726
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181726
• Sonrisas canónicas: CCCCCCCCCCCBr
• IUPAC Name: 1-bromoundecane
• InChIKey: IKPSIIAXIDAQLG-UHFFFAOYSA-N
• INCHI: 1S/C11H23Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3
• Isómeros SMILES: CCCCCCCCCCCBr
• WGK Alemania: 3
• Peso molecular: 235.21
• Beilstein: 1098390
• Reaxy-Rn: 1098390
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098390&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 acyclic compounds
• Substituents: Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic acyclic 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: Insoluble in water.
• Índice de refracción: 1.46
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 138°C/18mmHg
• Punto de fusión (°C): -9°C(lit.)
• Peso molecular: 235.200 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 234.098 Da
• Monoisotopic Mass: 234.098 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 71.400
• 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

Referencias

1. Jianwen Tian, Muzhou Teng, Mu Song, Zhijia Li, Xiaoyong Zhang, Youqin Xu.  (2021)  A feasible molecular engineering for bright Π-conjugation free radical photosensitizers with aggregation-induced emission.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2021.109651]

2. Chi Chen, Yangyuanchen Liu, Ximin He, Hua Li, Yujie Chen, Ying Wei, Yusen Zhao, Yanfei Ma, Zhen Chen, Xu Zheng, Hezhou Liu.  (2021)  Multiresponse Shape-Memory Nanocomposite with a Reversible Cycle for Powerful Artificial Muscles.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.0c04170]

3. Yu Fang, Qi Shi, Jinping Qu, Xiang Lu.  (2026)  Single molecule coupling of light and thermal for programmable energy storage.  POLYMER,      [PMID:] [10.1016/j.polymer.2026.129684]