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

CAS: 4549-32-0 Cat. No.: D106497 Formula: Br(CH₂)₈Br Molecular Weight: 272.02 Beilstein Registry Number: 1698114 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

Pubchem Sid

488185561

Pubchem Sid Url

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

Canonical Smiles

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

Isomeric SMILES

C(CCCCBr)CCCBr

WGK Germany

3

Molecular Weight

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
    • Class Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: 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

Chemical and Physical Properties

• Solubility: Immiscible with water.
• Freezing Point(°C): 12 °C
• Refractive Index: 1.498
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 270-272°C
• Melt Point(°C): 15-16°C
• Molecular Weight: 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