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

CAS: 4549-31-9 Cat. No.: D106496 Formule: C₇H₁₄Br₂ Poids moléculaire: 257.99 Beilstein Registry Number: 1734575 Numéro CE: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488185560
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185560
• Sourires canoniques: 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
• Isomères SMILES: C(CCCBr)CCCBr
• WGK Allemagne: 3
• Numéro ONU: 2810
• Poids moléculaire: 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
    • 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 acyclic compounds
• Substituents: Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic acyclic 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

• Indice de réfraction: 1.5
• Point d'éclair (°F): 235.4 °F
• Point d'éclair (°C): 113 °C
• Point d'ébullition (°C): 263°C
• Poids moléculaire: 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

Références

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]