Bromo-PEG4-azide - ≥98% , CAS No.1951439-37-4

CAS: 1951439-37-4 Cat. No.: B595453 Molecular Weight: 326.2 PubChem CID: 77078231

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Bromo-PEG4-azide is a PEG derivative containing a bromide group and a terminal azide. The hydrophilic PEG spacer increases solubility in aqueous media. The bromide (Br) is a very good leaving group for nucleophilic substitution reactions. The azide group can react with alkyne, BCN, DBCO via Click Chemistry to yield a stable triazole linkage.

Specifications

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C(COCCOCCOCCOCCBr)N=[N+]=[N-]
• IUPAC Name: 1-azido-2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethane
• InChIKey: YICYFFFKHLMTQK-UHFFFAOYSA-N
• INCHI: 1S/C10H20BrN3O4/c11-1-3-15-5-7-17-9-10-18-8-6-16-4-2-13-14-12/h1-10H2
• Isomeric SMILES: C(COCCOCCOCCOCCBr)N=[N+]=[N-]
• PubChem CID: 77078231
• Molecular Weight: 326.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Class Allyl-type 1,3-dipolar organic compounds
      • Subclass Azo imides

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Class: Allyl-type 1,3-dipolar organic compounds
• Subclass: Azo imides
• Intermediate Tree Nodes: Not available
• Direct Parent: Azo imides
• Alternative Parents: Azo compounds Dialkyl ethers Organobromides Organic salts Hydrocarbon derivatives Alkyl bromides Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Azo compound - Azo imide - Dialkyl ether - Ether - Alkyl bromide - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as azo imides. These are n-Imides of azo compounds, analogous to azoxy compounds, having a delocalized structure.
• 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: Solubility in DMSO, DCM, DMF
• Molecular Weight: 326.190 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 325.064 Da
• Monoisotopic Mass: 325.064 Da
• Topological Polar Surface Area: 51.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 215.000
• 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