1,4-Dibromopentane - ≥95%(GC) , CAS No.626-87-9

CAS: 626-87-9 Cat. No.: D155307 Molecular Weight: 229.94 Beilstein Registry Number: 605295 EC Number: 210-967-2

GRADE & PURITY ≥95%(GC)

Synonyms

F14613 | Pentane, 1,4-dibromo- | 1,4-Dibromopentane | 1,4-dibromo-pentane | A833927 | 1,4-Dibromopentane, 97% | D1408 | SY049935 | AMY2526 | MFCD00000153 | EINECS 210-967-2 | NSC 8753 | AKOS009156844 | FT-0606856 | Pentane,4-dibromo- | AS-47603 | SCHEMBL8

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

1,4-Dibromopentane has been used in the synthesis of:pharaoh ant trail pheromone stereoisomer, indolizidine alkaloid;1,2-dimethyl-1-phenylcyclopentane;Boc-L-2-amino-6-bromoheptanoic acid.

Specifications

Synonyms

F14613 | Pentane, 1, 4-dibromo- | 1, 4-Dibromopentane | 1, 4-dibromo-pentane | A833927 | 1, 4-Dibromopentane, 97% | D1408 | SY049935 | AMY2526 | MFCD00000153 | EINECS 210-967-2 | NSC 8753 | AKOS009156844 | FT-0606856 | Pentane, 4-dibromo- | AS-47603 | SCHEMBL8

Specifications & Purity

≥95%(GC)

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 504755341
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755341
• Canonical Smiles: CC(CCCBr)Br
• IUPAC Name: 1,4-dibromopentane
• InChIKey: CNBFRBXEGGRSPL-UHFFFAOYSA-N
• INCHI: 1S/C5H10Br2/c1-5(7)3-2-4-6/h5H,2-4H2,1H3
• Isomeric SMILES: CC(CCCBr)Br
• WGK Germany: 3
• Molecular Weight: 229.94
• Beilstein: 605295
• Reaxy-Rn: 605295
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605295&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: Insoluble in water.
• Sensitivity: Heat & Light sensitive
• Refractive Index: 1.51
• Flash Point(°F): 230 °F
• Flash Point(°C): 110 °C
• Boil Point(°C): 202 °C
• Molecular Weight: 229.940 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 229.913 Da
• Monoisotopic Mass: 227.915 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 37.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1