1,5-Dibromopentane - ≥98% , CAS No.111-24-0

CAS: 111-24-0 Cat. No.: D106538 Formula: C₅H₁₀Br₂ Molecular Weight: 229.94 Beilstein Registry Number: 1209245 EC Number: 203-849-7

GRADE & PURITY ≥98%

Synonyms

Pentane,5-dibromo- | 1,5-bis(bromanyl)pentane | D0198 | 1,5-Dibromopentane; 99% | DIBROMOPENTANE, 1,5- | 1,5-dibrompentane | DTXSID2049395 | NSC 5373 | Pentane, 1,5-dibromo- | Dibromo-1,5 pentane | NSC5373 | NSC-5373 | AS-13596 | SY004544 | 1,5-Dibromopen

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Overview

1,5-Dibromopentane can be used to prepare:

· Derivatives of 5-pyrazolones. 

· O-alkylated phloroglucinol derivatives, which forms the core of poly(alkyl aryl ether) dendrimers. 

· Intermediate for dezocine viz, (R)-(+)-1-(5-bromopentyl)-1-methyl-7-methoxy-2-tetralone using 1-methyl-7-methoxy-2-tetralone. 

1,5-Dibromopentane was used in the preparartion of 1,5-di-Grignard reagent. It was also used in the synthesis of novel spirocyclic pyrrolidones

1,5-Dibromopentane is a growth supplement for Yarrowia lipolytica 3589, a tropical marine yeast.

Source for 1,5-di-Grignard reagent.

Specifications

Synonyms

Pentane,5-dibromo- | 1,5-bis(bromanyl)pentane | D0198 | 1,5-Dibromopentane; 99% | DIBROMOPENTANE, 1,5- | 1,5-dibrompentane | DTXSID2049395 | NSC 5373 | Pentane, 1,5-dibromo- | Dibromo-1,5 pentane | NSC5373 | NSC-5373 | AS-13596 | SY004544 | 1,5-Dibromopen

Specifications & Purity

≥98%

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

504751576

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751576

Canonical Smiles

C(CCBr)CCBr

IUPAC Name

1,5-dibromopentane

InChIKey

IBODDUNKEPPBKW-UHFFFAOYSA-N

INCHI

1S/C5H10Br2/c6-4-2-1-3-5-7/h1-5H2

Isomeric SMILES

C(CCBr)CCBr

WGK Germany

3

RTECS

SA0320000

Molecular Weight

229.94

Beilstein

1209245

Reaxy-Rn

1209245

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209245&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, soluble in benzene and chloroform.
• Sensitivity: Light sensitive.
• Refractive Index: 1.5112-1.5132
• Flash Point(°F): 174.2 °F
• Flash Point(°C): 79 °C
• Boil Point(°C): 224°C
• Melt Point(°C): -34°C
• Molecular Weight: 229.940 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• 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: 25.300
• 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