1,8-Dibromooctane - ≥98% , CAS No.4549-32-0

CAS: 4549-32-0 Cat. No.: D106497 Formule: Br(CH₂)₈Br Poids moléculaire: 272.02 Beilstein Registry Number: 1698114 Numéro CE: 224-912-5

GRADE & PURITY ≥98%

Synonyms

92NT7608O0 | UNII-ES9U6BR88X | 4-(2-Chloro-ethyl)-morpholine | Octamethylene dibromide | 1,8-Dibromooctane | 1,8-dibromo-octane | AMY11217 | DTXSID5063520 | SCHEMBL98832 | SY013819 | alpha,omega-Dibromooctane | 1,8-dibromoctane | Octamethylene Bromide | P

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

92NT7608O0 | UNII-ES9U6BR88X | 4-(2-Chloro-ethyl)-morpholine | Octamethylene dibromide | 1,8-Dibromooctane | 1,8-dibromo-octane | AMY11217 | DTXSID5063520 | SCHEMBL98832 | SY013819 | alpha,omega-Dibromooctane | 1,8-dibromoctane | Octamethylene Bromide | P

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488185561

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185561

Sourires canoniques

C(CCCCBr)CCCBr

IUPAC Name

1,8-dibromooctane

InChIKey

DKEGCUDAFWNSSO-UHFFFAOYSA-N

INCHI

1S/C8H16Br2/c9-7-5-3-1-2-4-6-8-10/h1-8H2

Isomères SMILES

C(CCCCBr)CCCBr

WGK Allemagne

3

Poids moléculaire

272.02

Beilstein

1698114

Reaxy-Rn

1698114

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1698114&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

• Solubilité: Immiscible with water.
• Point de congélation (°C): 12 °C
• Indice de réfraction: 1.498
• Point d'éclair (°F): 235.4 °F
• Point d'éclair (°C): 113 °C
• Point d'ébullition (°C): 270-272°C
• Point de fusion (°C): 15-16°C
• Poids moléculaire: 272.020 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 271.96 Da
• Monoisotopic Mass: 269.962 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 47.200
• 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