Bromo-PEG3-azide - ≥98% , CAS No.1446282-43-4

CAS: 1446282-43-4 Cat. No.: B595305 Formule: C₈H₁₆BrN₃O₃ Poids moléculaire: 282.14

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Bromo-PEG3-azide is a PEG derivative containing a bromide group and an azide group. The hydrophilic PEG spacer increases solubility in aqueous media. The azide group can react with alkyne, BCN, DBCO via Click Chemistry to yield a stable triazole linkage. The bromide (Br) is a very good leaving group for nucleophilic substitution reactions.

Specifications

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: C(COCCOCCOCCBr)N=[N+]=[N-]
• IUPAC Name: 1-azido-2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethane
• InChIKey: XSJKYJPWZDLXTI-UHFFFAOYSA-N
• INCHI: 1S/C8H16BrN3O3/c9-1-3-13-5-7-15-8-6-14-4-2-11-12-10/h1-8H2
• Isomères SMILES: C(COCCOCCOCCBr)N=[N+]=[N-]
• Poids moléculaire: 282.14
• Reaxy-Rn: 28448521
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28448521&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Classe: 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

Propriétés chimiques et physiques

• Solubilité: Solubility in DMSO, DCM, DMF
• Poids moléculaire: 282.140 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 281.038 Da
• Monoisotopic Mass: 281.038 Da
• Topological Polar Surface Area: 42.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 177.000
• 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