1,7-Dibromoheptane - ≥98% , CAS No.4549-31-9

CAS: 4549-31-9 Cat. No.: D106496 Peso molecular: 257.99 Beilstein Registry Number: 1734575 Número EC: 224-910-4

GRADE & PURITY ≥98%

Synonyms

AMY11216 | Dibromo-1,7 heptane | 2,5-furandicarboxylate | SCHEMBL31090 | NSC 56149 | NSC56149 | NSC-56149 | Heptamethylene dibromide | 1-(acetylsulfanyl)ethan-1-one | 1,7-Dibromoheptane, 97% | Methane, tetrakis(chloromethyl)- | 1,9-Dibromnonan;1,9-dibromo

Storage

Room temperature

Shipped In

Normal

Descripción general

1,7-Dibromoheptane was used in the synthesis of random thermotropic liquid crystalline copolyether1 and ternary copolyether. It was also used in the synthesis of thermotropic liquid crystalline dendrimer exhibiting a nematic phase.

Specifications

Sinónimos

AMY11216 | Dibromo-1, 7 heptane | 2, 5-furandicarboxylate | SCHEMBL31090 | NSC 56149 | NSC56149 | NSC-56149 | Heptamethylene dibromide | 1-(acetylsulfanyl)ethan-1-one | 1, 7-Dibromoheptane, 97% | Methane, tetrakis(chloromethyl)- | 1, 9-Dibromnonan;1, 9-dibromo

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488185560
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185560
• Sonrisas canónicas: C(CCCBr)CCCBr
• IUPAC Name: 1,7-dibromoheptane
• InChIKey: LVWSZGCVEZRFBT-UHFFFAOYSA-N
• INCHI: 1S/C7H14Br2/c8-6-4-2-1-3-5-7-9/h1-7H2
• Isómeros SMILES: C(CCCBr)CCCBr
• WGK Alemania: 3
• Número ONU: 2810
• Peso molecular: 257.99
• Beilstein: 1734575
• Reaxy-Rn: 1734575
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1734575&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

• Índice de refracción: 1.5
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 263°C
• Peso molecular: 257.990 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 257.944 Da
• Monoisotopic Mass: 255.946 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 40.200
• 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. Song Jun, Wang Linfeng, Shan Jicheng, Li Chuanmeng, Wang Mengdie.  (2024)  Effect of methylene lengths of 4-(ω-(methylimidazole)-alkyloxy)-4’-(cyano)-biphenyl on cellulose liquid crystal solution and its phase transition properties.  CELLULOSE,  31  (10): (6141-6153).  [PMID:] [10.1007/s10570-024-05993-8]