1,3-Dibromopropane - ≥98% , CAS No.109-64-8

CAS: 109-64-8 Cat. No.: D104777 Formula: C₃H₆Br₂ Molecular Weight: 201.89 Beilstein Registry Number: 635662 EC Number: 203-690-3

GRADE & PURITY ≥98%

Synonyms

1,3-dibromopropan | InChI=1/C3H6Br2/c4-2-1-3-5/h1-3H | UNII-YQR3048IX9 | .alpha.,.gamma.-Dibromopropane | AMY25527 | F0001-0197 | Q408240 | A802067 | BBL011375 | 1.3-dibromopropane | Br(CH2)3Br | BP-31190 | Dibromo-1,3 propane | CH2BrCH2CH2Br | 1,3-Dibrom

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

Product Description
1,3-Dibromopropane is a dihalogenated propane. It undergoes reduction catalyzed by electrogenerated solution-phase nickel(I) salen and nickel(I) salen confined in a polymer film on the surface of a carbon electrode to afford cyclopropane and propylene, respectively.
Product Application
1,3-Dibromopropane is used to prepare C3-bridged compounds through C-N coupling reactions. It is used in the preparation of 2,3,4,5-tetrahydro-7,7-diphenylimidazo- [2,1-b]-thiazine-6(7H)-one by reacting with potassium salt of 5,5-diphenyl-2-thiohydantoin.

Specifications

Synonyms

1,3-dibromopropan | InChI=1/C3H6Br2/c4-2-1-3-5/h1-3H | UNII-YQR3048IX9 | .alpha.,.gamma.-Dibromopropane | AMY25527 | F0001-0197 | Q408240 | A802067 | BBL011375 | 1.3-dibromopropane | Br(CH2)3Br | BP-31190 | Dibromo-1,3 propane | CH2BrCH2CH2Br | 1,3-Dibrom

Specifications & Purity

≥98%

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Purity

≥98%

Names and Identifiers

Pubchem Sid

508807031

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, alcohol, water
• Sensitivity: Light 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