1,3-Dibromopropane - ≥99% , CAS No.109-64-8

CAS: 109-64-8 Cat. No.: D104778 Formula: C₃H₆Br₂ Molecular Weight: 201.89 Beilstein Registry Number: 635662 EC Number: 203-690-3

GRADE & PURITY ≥99%

Synonyms

1,3-dibromopropan|.alpha.,.gamma.-Dibromopropane|1.3-dibromopropane|Dibromo-1,3 propane|.omega.,.omega.'-Dibromopropane|Dibromopropane, 1,3-|Trimethylene dibromide|1,3-dibrompropane|1,3-DIBROMOPROPANE [HSDB]|TRIMETHYLENE BROMIDE [MI]|1,3 dibromopropane|1,3- dibromopropane|Trimethylene bromide|alpha,gamma-Dibromopropane|1,3-dibromo propane|1,3-dibromo- propane|1,3-dibromo -propane|1,3dibromopropane|1,3-DIBROMOPROPANE|1,3-di-bromopropane|1,3-dibromo-propane|Propane, 1,3-dibromo-|1, 3-dibromopropane

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

1,3-Dibromopropane is a dihalopropane. In the polymer film on the surface of the carbon electrode, it is catalyzed by electro-generated liquid nickel (I) chiral and nickel (I) chiral catalytic reduction to produce cyclopropane and propylene, respectively.

1,3-Dibromopropane can be used to prepare chiral twin cation ionic liquids and 1,3-bis(1-7′-chloro-4-quinolinyl-4-piperazinyl)propane.

Specifications

Synonyms

1,3-dibromopropan | .alpha.,.gamma.-Dibromopropane | 1.3-dibromopropane | Dibromo-1,3 propane | .omega.,.omega.'-Dibromopropane | Dibromopropane, 1,3- | Trimethylene dibromide | 1,3-dibrompropane | 1,3-DIBROMOPROPANE [HSDB] | TRIMETHYLENE BROMIDE [MI] | 1,3 dibromopropane | 1,3- dibromopropane | Trimethylene bromide | alpha,gamma-Dibromop Show more

Specifications & Purity

≥99%

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Purity

≥99%

Names and Identifiers

Pubchem Sid

504751538

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751538

Canonical Smiles

C(CBr)CBr

IUPAC Name

1,3-dibromopropane

InChIKey

VEFLKXRACNJHOV-UHFFFAOYSA-N

INCHI

1S/C3H6Br2/c4-2-1-3-5/h1-3H2

Isomeric SMILES

C(CBr)CBr

WGK Germany

2

RTECS

TX8575000

UN Number

1993

Molecular Weight

201.89

Beilstein

635662

Reaxy-Rn

635662

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635662&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: Soluble in ether and alcohol
• Sensitivity: Light & air & heat sensitive.
• x_refractive_index: 1.5232
• x_flash_point_drop_fahrenheit: 130°F
• x_flash_point_drop_centigrade: 54℃
• x_boil_point_char: 165°C
• x_melt_point_char: −34 °C (lit.)
• Molecular Weight: 201.890 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 201.882 Da
• Monoisotopic Mass: 199.884 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 12.400
• 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